Scientific name	Authority	First published in
Lupulus humulus	Mill.	Gard. Dict., ed. 8. 1768 [16 Apr 1768]
Lupulus communis	Gaertn.	Fruct. Sem. Pl. 1: 358 (1788)
Lupulus amarus	Gilib.	Exerc. Phyt. 2: 451. 1792
Lupulus scandens	Lam.	Fl. Franç. (Lamarck) 2: 217. 1779 [1778 publ. after 21 Mar 1779]
Humulus volubilis	Salisb.	Prodr. Stirp. Chap. Allerton 176. 1796 [Nov-Dec 1796]
Humulus vulgaris	Gilib.	Hist. Pl. Europe 2: 343 (1798)
Humulus lupulus var. cordifolius	(Miq.) Maxim. ex Franch. & Sav.	Enum. Pl. Jap. 2: 489 1878

Common names Top

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Filter by language:

Language	Common/alternative name
English	hop
English	common hop
Spanish	lúpulo
Spanish	lupo
Spanish	esparragos de culebra
Spanish	betiguera
Spanish	canamiza
Spanish	cañamiza
Spanish	cuerpo de hombre
Spanish	esparrago de ortiga
Spanish	espárrago de ortiga
Spanish	esparrago de rio
Spanish	esparrago de río
Spanish	espárrago de rio
Spanish	espárrago de río
Spanish	esparrago de soguilla
Spanish	espárrago de soguilla
Spanish	esparragos de ortiga
Spanish	espárragos de ortiga
Spanish	esparragos de sortijilla
Spanish	espárragos de sortijilla
Spanish	esparragos de zarza
Spanish	flor de hombre
Spanish	h lupulus
Spanish	h. lupulus
Spanish	hombrecillo
Spanish	hombrecillos
Spanish	lupiera
Spanish	lupina
Spanish	lupulo
Spanish	lupulo bravo
Spanish	lúpulo bravo
Spanish	ombrecillo
Spanish	pimienta blanquizca
Spanish	pina fofa
Spanish	piña fofa
Spanish	retigueras
Spanish	zaramancon
Spanish	zaramancón
Spanish	zaramangon
Spanish	zaramangón
Afrikaans	hops
Arabic	جنجل شائع
Arabic	جنجل
Arabic	حشيشة الدينار
Arabic	كرمة الشمال
Azerbaijani	adi mayasarmaşığı
Azerbaijani	adi mayaotu
azb	عادی مایاسارماشیغی
Belarusian	Хмель звычайны
Bulgarian	Обикновен хмел
Bulgarian	обикновен хмел
Bosnian	hmelj
Catalan	llúpol
Czech	chmel otáčivý
Welsh	hopys
Danish	almindelig humle
Danish	humle
German	hopfen
German	echter hopfen
German	gewöhnlicher hopfen
eml	avértîs
Esperanto	lupolo
Estonian	harilik humal
Estonian	humal
Basque	lupulu
Basque	biera-belar
Basque	ezkiluntz
Persian	رازک
Finnish	humala
Finnish	salkohumala
French	houblon
French	houblon grimpant
French	houblons
frr	echt hoop
Irish	hopa
Galician	lúpulo
Swiss German	gwönlicha hopfa
Swiss German	hopfe
Swiss German	echdr hopfa
Hebrew	כשותנית
Hebrew	כשותית
Hindi	साधारण राज़क
Croatian	hmelj
Upper Sorbian	wšědny chmjel
Hungarian	közönséges komló
Armenian	Գայլուկ սովորական
Armenian	գայլուկ սովորական
Icelandic	humall
Italian	luppolo
Japanese	ホップ
Japanese	セイヨウカラハナソウ
jv	hop
Georgian	სვია
Kazakh	Құлмақ
Korean	홉
Cornish	hopys
lmo	luertìs
lmo	lavortis
lmo	loertìs
Lithuanian	paprastasis apynys
Latvian	apinis
Macedonian	Хмељ
Macedonian	обичен хмељ
Macedonian	хмељ
Norwegian Bokmål	humle
nds	kauske hoppen
nds	hoppen
Dutch	hop
Dutch	hopscheuten
Norwegian Nynorsk	humle
Polish	chmiel zwyczajny
Polish	chmiel goryczkowy
pms	luvërtin
Pashto	چندرۍ
Portuguese	lúpulo
Quechua	lupulu
Quechua	lupulo
Quechua	lúpulo
Romanian	hamei
Russian	Хмель обыкновенный
Russian	хмель вьющийся
Russian	хмель обыкновенный
Samogitian	apīnīs
Slovak	chmeľ obyčajný
Slovenian	navadni hmelj
Serbian	hmelj
stq	hoppe
Swedish	humle
Turkish	Şerbetçi otu
Turkish	bira çiçeği
Turkish	biraçiçeği
Turkish	mayaotu
Turkish	Şerbetçiotu
tt	Гади колмак
Ukrainian	Хміль звичайний
Ukrainian	хміль звичайний
vec	lovertin
vec	bruscandol
vec	bruscandoli
vec	bruscandołi
vec	bruscàndoli
vec	bruscàndołi
vec	bruscandolo
vec	bruscandoło
vec	bruscàndolo
vec	bruscàndoło
vec	bruscanzołi
Vietnamese	hoa bia
vls	hommel
Walloon	houbion
xmf	ფშალე
Chinese	啤酒花
Chinese	啤酒花*(忽布）
Chinese	心叶忽布
Chinese	蛇麻
Chinese	野酒花
Chinese	忽布
Chinese	蛇麻草
Chinese	酒花

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- Northern Africa
  - Morocco

Asia-temperate click to expand
- Caucasus
  - North Caucasus
  - Transcaucasus
- China
  - Inner Mongolia
  - Xinjiang
- Eastern Asia
  - Korea
- Middle Asia
  - Kazakhstan
  - Kirgizstan
  - Uzbekistan
- Russian Far East
  - Amur
  - Primorye
  - Sakhalin
- Siberia
  - Altay
  - Buryatiya
  - Chita
  - Irkutsk
  - Krasnoyarsk
  - West Siberia
- Western Asia
  - Afghanistan
  - Iran
  - Turkey

Australasia click to expand
- Australia
  - New South Wales
  - Queensland
  - South Australia
  - Tasmania
  - Victoria
- New Zealand
  - New Zealand North
  - New Zealand South

Europe click to expand
- Eastern Europe
  - Baltic States
  - Belarus
  - Central European Russia
  - East European Russia
  - Krym
  - North European Russia
  - Northwest European Russia
  - South European Russia
  - Ukraine
- Middle Europe
  - Austria
  - Belgium
  - Czechoslovakia
  - Germany
  - Hungary
  - Netherlands
  - Poland
  - Switzerland
- Northern Europe
  - Denmark
  - Finland
  - Great Britain
  - Ireland
  - Norway
  - Sweden
- Southeastern Europe
  - Albania
  - Bulgaria
  - Greece
  - Italy
  - Romania
  - Sicilia
  - Turkey-in-Europe
  - Yugoslavia
- Southwestern Europe
  - Corse
  - France
  - Portugal
  - Sardegna
  - Spain

Northern America click to expand
- Eastern Canada
  - New Brunswick
  - Newfoundland
  - Nova Scotia
  - Ontario
  - Prince Edward Island
  - Québec
- North-central U.S.A.
  - Illinois
  - Missouri
  - Wisconsin
- Northeastern U.S.A.
  - Connecticut
  - Indiana
  - Maine
  - Massachusetts
  - Michigan
  - New Hampshire
  - New Jersey
  - New York
  - Ohio
  - Pennsylvania
  - Rhode Island
  - Vermont
  - West Virginia
- Northwestern U.S.A.
  - Idaho
  - Oregon
  - Washington
- Southeastern U.S.A.
  - Alabama
  - Delaware
  - Maryland
  - Virginia
- Southwestern U.S.A.
  - California
  - Nevada
- Western Canada
  - Manitoba

Southern America click to expand
- Southern South America
  - Argentina South

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000725866
UNII	912A6Q1N4A
Flora of Alabama	1357
Canadensys	4196
USDA Plants	HULU
Tropicos	21302043
INPN	103031
Flora of Italy	294
KEW	urn:lsid:ipni.org:names:303502-2
The Plant List	kew-2855039
Missouri Botanical Garden	282761
PFAF	Humulus lupulus
Open Tree Of Life	84020
Observations.org	7697
NCBI Taxonomy	3486
NBN Atlas	NBNSYS0000003809
Nature Serve	2.152057
IPNI	303502-2
iNaturalist	53779
GBIF	2984535
Freebase	/m/025s187
WisFlora	3884
EPPO	HUMLU
EOL	595013
Elurikkus	5183
Calflora (Californian flora)	4277
US Library of Congress	sh85061955
USDA GRIN	19415
Wikipedia	Humulus_lupulus
CMAUP	NPO13879

Genomes (via NCBI) Top

Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.

Accession	Assembly
Accession	Name	Level	Submitter	Released	Coverage	Size
GCF_963169125.1	drHumLupu1.1	Chromosome	WELLCOME SANGER INSTITUTE	2023-08-19	32.0x	2.32 Gb

Scientific Literature Top

Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.

Title

Authors

Publication

Released

IDs

Nanofibrous ε-Polycaprolactone Matrices Containing Nano-Hydroxyapatite and Humulus lupulus L. Extract: Physicochemical and Biological Characterization for Oral Applications

Villanueva-Lumbreras J, Rodriguez C, Aguilar MR, Avilés-Arnaut H, Cordell GA, Rodriguez-Garcia A

Polymers (Basel)

30-Apr-2024

PMCID:	PMC11085452
doi:	10.3390/polym16091258
PMID:	38732727

Electrospun nanofibers synthesized from polymers incorporated with bioactive compounds for wound healing

Palani N, Vijayakumar P, Monisha P, Ayyadurai S, Rajadesingu S

J Nanobiotechnology

27-Apr-2024

PMCID:	PMC11056076
doi:	10.1186/s12951-024-02491-8
PMID:	38678271

The mechanisms of natural products for eye disorders by targeting mitochondrial dysfunction

Sun GF, Qu XH, Jiang LP, Chen ZP, Wang T, Han XJ

Front Pharmacol

25-Apr-2024

PMCID:	PMC11079200
doi:	10.3389/fphar.2024.1270073
PMID:	38725662

Comprehensive Two-Dimensional Gas Chromatography–Mass Spectrometry as a Tool for the Untargeted Study of Hop and Their Metabolites

Resende GA, Amaral MS, Botelho BG, Marriott PJ

Metabolites

19-Apr-2024

PMCID:	PMC11051809
doi:	10.3390/metabo14040237
PMID:	38668365

Mitigating digestive disorders: Action mechanisms of Mediterranean herbal active compounds

Kmail A

Open Life Sci

18-Apr-2024

PMCID:	PMC11032100
doi:	10.1515/biol-2022-0857

Wild Edible Plants Used in Dalmatian Zagora (Croatia)

Ninčević Runjić T, Jug-Dujaković M, Runjić M, Łuczaj Ł

Plants (Basel)

11-Apr-2024

PMCID:	PMC11053949
doi:	10.3390/plants13081079
PMID:	38674488

UHPLC-PAD Protocol for the Simultaneous Identification of Polyphenols and Bitter Acids: Organoleptic and Nutraceutical Fingerprinting of Bergamot-Flavored Craft Beer

Carabetta S, Di Sanzo R, Andronaco P, Canino F, Branyik T, Salafia F, Fuda S, Muscolo A, Russo M

Foods

10-Apr-2024

PMCID:	PMC11049281
doi:	10.3390/foods13081149
PMID:	38672822

A hypothesis-based hop microbiology laboratory module testing the plausibility of the mythical origin of the India Pale Ale

Molina Pineda J, Scholes AN, Lewis JA

J Microbiol Biol Educ

09-Apr-2024

PMCID:	PMC11044635
doi:	10.1128/jmbe.00020-24
PMID:	38591892

Evaluation of the Protoscolicidal Activity of Humulus lupulus Methanolic Extracts on Echinococcus granulosus Sensu Stricto

Albani CM, Iglesias A, Albanese A, Fuentes G, Orallo D, Maggi M, Elissondo MC

Evid Based Complement Alternat Med

04-Apr-2024

PMCID:	PMC11008976
doi:	10.1155/2024/6251666
PMID:	38605998

An Overview on Flavor Extraction, Antimicrobial and Antioxidant Significance, and Production of Herbal Wines

Morya S, Menaa F, Lourenço-Lopes C, Jimenez-Lopez C, Khalid W, Moreno A, Ikram A, Khan KA, Ramniwas S, Mugabi R

ACS Omega

02-Apr-2024

PMCID:	PMC11024944
doi:	10.1021/acsomega.3c09887
PMID:	38645323

Flavonoids with Anti-Angiogenesis Function in Cancer

Wei Q, Zhang YH

Molecules

31-Mar-2024

PMCID:	PMC11013936
doi:	10.3390/molecules29071570
PMID:	38611849

Antioxidant Activity of Humulus lupulus Phenolic Hop Extracts in Creating a New Pâté: An Element Affecting Fat Stability and Microbiological Quality during Storage

Bilska A, Kobus-Cisowska J, Wojtczak J, Kowalski R, Kaczmarek E

Molecules

31-Mar-2024

PMCID:	PMC11013162
doi:	10.3390/molecules29071561
PMID:	38611840

New Light on Plants and Their Chemical Compounds Used in Polish Folk Medicine to Treat Urinary Diseases

Olas B, Różański W, Urbańska K, Sławińska N, Bryś M

Pharmaceuticals (Basel)

28-Mar-2024

PMCID:	PMC11054606
doi:	10.3390/ph17040435
PMID:	38675397

Medicinal plants and natural products for treating overactive bladder

Chen H, Hoi MP, Lee SM

Chin Med

27-Mar-2024

PMCID:	PMC10967063
doi:	10.1186/s13020-024-00884-3
PMID:	38532487

Overview of Ethnobotanical–Pharmacological Studies Carried Out on Medicinal Plants from the Serra da Estrela Natural Park: Focus on Their Antidiabetic Potential

Lahlou RA, Carvalho F, Pereira MJ, Lopes J, Silva LR

Pharmaceutics

25-Mar-2024

PMCID:	PMC11054966
doi:	10.3390/pharmaceutics16040454
PMID:	38675115

Phytochemical Profile Top

Add a new one!

Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.

Name	PubChem ID	Canonical SMILES	MW	Found in	Proof
> Alkaloids and derivatives / Harmala alkaloids
methyl 1-(7-amino-5,8-dioxoquinolin-2-yl)-4-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylate	163021474	Click to see CC1C(N=C(C2=C1C3=CC=CC=C3N2)C4=NC5=C(C=C4)C(=O)C=C(C5=O)N)C(=O)OC	414.40	unknown	https://doi.org/10.1016/S0278-6915(99)00019-8
> Benzenoids / Benzene and substituted derivatives
2-Phenyl-hex-5-en-3-ol	571676	Click to see CC(C1=CC=CC=C1)C(CC=C)O	176.25	unknown	via CMAUP database
Benzene	241	Click to see C1=CC=CC=C1	78.11	unknown	via CMAUP database
Methyl phenylacetate	7559	Click to see COC(=O)CC1=CC=CC=C1	150.17	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	via CMAUP database
4-Hydroxybenzoic acid	135	Click to see C1=CC(=CC=C1C(=O)O)O	138.12	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid	370	Click to see C1=C(C=C(C(=C1O)O)O)C(=O)O	170.12	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / O-methoxybenzoic acids and derivatives
Fendleric acid C	146683468	Click to see CC1=C(C2=C(C(=C1OC)C(=O)O)C(=O)OC2)OCC3C4(CCCC(C4CCC3(C)O)(C)C)C	460.60	unknown	https://doi.org/10.1016/S0031-9422(00)00005-4
> Benzenoids / Benzene and substituted derivatives / Benzylethers
2-[2-(6-Bromohexyloxy)ethoxymethyl]-1,3-dichlorobenzene	66844903	Click to see C1=CC(=C(C(=C1)Cl)COCCOCCCCCCBr)Cl	384.10	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyloxycarbonyls
(4-Methoxyphenyl)methyl heptanoate	3018185	Click to see CCCCCCC(=O)OCC1=CC=C(C=C1)OC	250.33	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenyl methylcarbamates
5-Dimethylamino-4-tolyl methylcarbamate	26479	Click to see CC1=C(C=C(C=C1)OC(=O)NC)N(C)C	208.26	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylmethylamines
Tribenzylamine	24321	Click to see C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3	287.40	unknown	https://doi.org/10.1515/ZNC-2003-9-1007
> Benzenoids / Benzene and substituted derivatives / Styrenes
Methyl 6-[4,4-dimethyl-3-(3-methylbut-2-enoxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methyl-4-oxohex-5-enoate	139588118	Click to see CC(C(=O)C=CC1=CC2=C(C=C1)OCC(C(O2)(C)C)OCC=C(C)C)C(=COC)C(=O)OC	458.50	unknown	https://doi.org/10.1016/S0031-9422(96)00744-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1016/S0278-6915(99)00019-8
> Benzenoids / Benzene and substituted derivatives / Toluenes
4-Ethyltoluene	12160	Click to see CCC1=CC=C(C=C1)C	120.19	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Xylenes / p-Xylenes
P-Xylene	7809	Click to see CC1=CC=C(C=C1)C	106.16	unknown	via CMAUP database
> Benzenoids / Naphthalenes
2-Vinylnaphthalene	13230	Click to see C=CC1=CC2=CC=CC=C2C=C1	154.21	unknown	via CMAUP database
> Benzenoids / Naphthalenes / Naphthoquinones
8-(2,5-Dimethylanilino)naphtho-1,2-quinone	624013	Click to see CC1=CC(=C(C=C1)C)NC2=CC=CC3=C2C(=O)C(=O)C=C3	277.30	unknown	via CMAUP database
> Benzenoids / Phenol esters
m-Ethylphenyl acetate	76462	Click to see CCC1=CC(=CC=C1)OC(=O)C	164.20	unknown	via CMAUP database
o-Tolyl acetate	10778	Click to see CC1=CC=CC=C1OC(=O)C	150.17	unknown	via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
Hydron;phenoxide	20488062	Click to see [H+].C1=CC=C(C=C1)[O-]	94.11	unknown	via CMAUP database
> Benzenoids / Phenols / Benzenetriols and derivatives / Phloroglucinols and derivatives
Phloroglucinol	359	Click to see C1=C(C=C(C=C1O)O)O	126.11	unknown	via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
2-Methoxy-4-vinylphenol	332	Click to see COC1=C(C=CC(=C1)C=C)O	150.17	unknown	https://doi.org/10.1021/JF990514L
5-Ethenyl-2-methoxyphenol	10441857	Click to see COC1=C(C=C(C=C1)C=C)O	150.17	unknown	https://doi.org/10.1021/JF990514L
Eugenol	3314	Click to see COC1=C(C=CC(=C1)CC=C)O	164.20	unknown	via CMAUP database
Isoeugenol	853433	Click to see CC=CC1=CC(=C(C=C1)O)OC	164.20	unknown	via CMAUP database
> Benzenoids / Triphenyl compounds
(4-Methoxyphenyl)diphenylmethanol	70061	Click to see COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O	290.40	unknown	https://doi.org/10.1515/ZNC-2003-9-1007
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Dodecane	8182	Click to see CCCCCCCCCCCC	170.33	unknown	via CMAUP database
Nonane	8141	Click to see CCCCCCCCC	128.25	unknown	via CMAUP database
Octane	356	Click to see CCCCCCCC	114.23	unknown	via CMAUP database
Pentane	8003	Click to see CCCCC	72.15	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes
(3R)-3-methylpentacosane	12052908	Click to see CCCCCCCCCCCCCCCCCCCCCCC(C)CC	366.70	unknown	via CMAUP database
2-Methyltetracosane	527459	Click to see CCCCCCCCCCCCCCCCCCCCCCC(C)C	352.70	unknown	via CMAUP database
2-Methyltricosane	283510	Click to see CCCCCCCCCCCCCCCCCCCCCC(C)C	338.70	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
(1S,4Z,8R)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene	18502770	Click to see CC1=CCC(=C)C2CC(C2CC1)(C)C	190.32	unknown	via CMAUP database
2,6-Dimethyl-2,5-heptadiene	521945	Click to see CC(=CCC=C(C)C)C	124.22	unknown	via CMAUP database
gamma-Terpinene	7461	Click to see CC1=CCC(=CC1)C(C)C	136.23	unknown	via CMAUP database
Isoprene	6557	Click to see CC(=C)C=C	68.12	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkadienes
1,3-Nonadiene	12563923	Click to see CCCCCC=CC=C	124.22	unknown	via CMAUP database
1,3-Nonadiene, (E)-	5352755	Click to see CCCCCC=CC=C	124.22	unknown	via CMAUP database
Nonadiene	41971	Click to see CCCCCC=CC=C	124.22	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatrienes
(3E,5Z)-undeca-1,3,5-triene	5352367	Click to see CCCCCC=CC=CC=C	150.26	unknown	via CMAUP database
1,3,5-Undecatriene	5367412	Click to see CCCCCC=CC=CC=C	150.26	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Lignan glycosides
(-)-Pinoresinol 4-O-glucoside	11168362	Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O	520.50	unknown	via CMAUP database
(+)-Isolariciresinol-3alpha-O-beta-D-glucopyranoside	10625849	Click to see COC1=C(C=C2C(C(C(CC2=C1)COC3C(C(C(C(O3)CO)O)O)O)CO)C4=CC(=C(C=C4)O)OC)O	522.50	unknown	via CMAUP database
(2S,3R,4S,5S,6R)-2-[4-[(2R,3S,4S)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	10029715	Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O	522.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
[(2S)-2-methylbutyl] (2R)-2-methylbutanoate	12867343	Click to see CCC(C)COC(=O)C(C)CC	172.26	unknown	via CMAUP database
2-Methylbutyl 2-methylbutyrate	17129	Click to see CCC(C)COC(=O)C(C)CC	172.26	unknown	via CMAUP database
3-Methylpentyl butyrate	3019776	Click to see CCCC(=O)OCCC(C)CC	172.26	unknown	via CMAUP database
Ethyl Dodecanoate	7800	Click to see CCCCCCCCCCCC(=O)OCC	228.37	unknown	via CMAUP database
Ethyl heptanoate	7797	Click to see CCCCCCC(=O)OCC	158.24	unknown	via CMAUP database
Ethyl isovalerate	7945	Click to see CCOC(=O)CC(C)C	130.18	unknown	via CMAUP database
Isobutyl isovalerate	11514	Click to see CC(C)CC(=O)OCC(C)C	158.24	unknown	via CMAUP database
Methyl 2-undecenoate	6429220	Click to see CCCCCCCCC=CC(=O)OC	198.30	unknown	via CMAUP database
Pentyl 3-methylbutanoate	95978	Click to see CCCCCOC(=O)CC(C)C	172.26	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
3,6-Dodecadienoic acid, methyl ester	5367408	Click to see CCCCCC=CCC=CCC(=O)OC	210.31	unknown	via CMAUP database
Methyl (E)-4-decenoate	5366840	Click to see CCCCCC=CCCC(=O)OC	184.27	unknown	via CMAUP database
Methyl (Z)-4-decenoate	5352371	Click to see CCCCCC=CCCC(=O)OC	184.27	unknown	via CMAUP database
Methyl (Z)-oct-4-enoate	5352774	Click to see CCCC=CCCC(=O)OC	156.22	unknown	via CMAUP database
Methyl 10-undecenoate	8138	Click to see COC(=O)CCCCCCCCC=C	198.30	unknown	via CMAUP database
Methyl 4-methyloctanoate	519186	Click to see CCCCC(C)CCC(=O)OC	172.26	unknown	via CMAUP database
Methyl 4,8-decadienoate	6428540	Click to see CC=CCCC=CCCC(=O)OC	182.26	unknown	via CMAUP database
Methyl 5-methylhexanoate	519894	Click to see CC(C)CCCC(=O)OC	144.21	unknown	via CMAUP database
Methyl 6-methylheptanoate	520188	Click to see CC(C)CCCCC(=O)OC	158.24	unknown	via CMAUP database
Methyl dec-4-enoate	23833	Click to see CCCCCC=CCCC(=O)OC	184.27	unknown	https://doi.org/10.1021/JF9911850
Methyl decanoate	8050	Click to see CCCCCCCCCC(=O)OC	186.29	unknown	https://doi.org/10.1021/JF9911850
Methyl heptanoate	7826	Click to see CCCCCCC(=O)OC	144.21	unknown	via CMAUP database
Methyl hexanoate	7824	Click to see CCCCCC(=O)OC	130.18	unknown	via CMAUP database
Methyl Laurate	8139	Click to see CCCCCCCCCCCC(=O)OC	214.34	unknown	via CMAUP database
Methyl nonanoate	15606	Click to see CCCCCCCCC(=O)OC	172.26	unknown	via CMAUP database
Methyl Octanoate	8091	Click to see CCCCCCCC(=O)OC	158.24	unknown	https://doi.org/10.1021/JF9911850
Methyl undecanoate	15607	Click to see CCCCCCCCCCC(=O)OC	200.32	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids
(R)-2-Methylbutanoic acid	6950479	Click to see CCC(C)C(=O)O	102.13	unknown	via CMAUP database
(S)-2-methylbutanoic acid	448893	Click to see CCC(C)C(=O)O	102.13	unknown	via CMAUP database
2-Methylbutanoic acid	8314	Click to see CCC(C)C(=O)O	102.13	unknown	https://doi.org/10.1021/JF990514L
Isovaleric acid	10430	Click to see CC(C)CC(=O)O	102.13	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
9-Octadecenoic acid	965	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	https://doi.org/10.1002/PTR.1527
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	https://doi.org/10.1002/PTR.1527
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	https://doi.org/10.1002/PTR.1527
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
4-Heptenoic acid	5282711	Click to see CCC=CCCC(=O)O	128.17	unknown	via CMAUP database
4,8-Decadienoic acid	5312361	Click to see CC=CCCC=CCCC(=O)O	168.23	unknown	via CMAUP database
6-Methylheptanoic acid	90716	Click to see CC(C)CCCCC(=O)O	144.21	unknown	via CMAUP database
6-Methyloctanoate	53437058	Click to see CCC(C)CCCCC(=O)[O-]	157.23	unknown	via CMAUP database
Heptanoic Acid	8094	Click to see CCCCCCC(=O)O	130.18	unknown	via CMAUP database
Octanoic Acid	379	Click to see CCCCCCCC(=O)O	144.21	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids
Butyric Acid	264	Click to see CCCC(=O)O	88.11	unknown	via CMAUP database
Valeric acid	7991	Click to see CCCCC(=O)O	102.13	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl thioesters
S-Methyl hexanethioate	75515	Click to see CCCCCC(=O)SC	146.25	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
Geranyl isobutyrate	6086514	Click to see CC(C)C(=O)OCC=C(C)CCC=C(C)C	224.34	unknown	https://doi.org/10.1021/JF00067A018
Octyl isobutyrate	61024	Click to see CCCCCCCCOC(=O)C(C)C	200.32	unknown	via CMAUP database
Octyl propionate	61096	Click to see CCCCCCCCOC(=O)CC	186.29	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(2R)-2-butyloctan-1-ol	76960266	Click to see CCCCCCC(CCCC)CO	186.33	unknown	via CMAUP database
(2R)-decan-2-ol	2737541	Click to see CCCCCCCCC(C)O	158.28	unknown	via CMAUP database
(2R)-Nonan-2-OL	11286536	Click to see CCCCCCCC(C)O	144.25	unknown	via CMAUP database
(R)-2-Undecanol	12512251	Click to see CCCCCCCCCC(C)O	172.31	unknown	via CMAUP database
(S)-(+)-2-Decanol	637571	Click to see CCCCCCCCC(C)O	158.28	unknown	via CMAUP database
(S)-(+)-2-Nonanol	11094753	Click to see CCCCCCCC(C)O	144.25	unknown	via CMAUP database
(S)-2-Undecanol	12512250	Click to see CCCCCCCCCC(C)O	172.31	unknown	via CMAUP database
1-Undecanol	8184	Click to see CCCCCCCCCCCO	172.31	unknown	via CMAUP database
2-Decanol	14254	Click to see CCCCCCCCC(C)O	158.28	unknown	via CMAUP database
2-Nonanol	12367	Click to see CCCCCCCC(C)O	144.25	unknown	https://doi.org/10.1021/JF9911850
2-Undecanol	15448	Click to see CCCCCCCCCC(C)O	172.31	unknown	via CMAUP database
6-Methyl-1-heptanol	15450	Click to see CC(C)CCCCCO	130.23	unknown	via CMAUP database
Nonan-1-ol	8914	Click to see CCCCCCCCCO	144.25	unknown	https://doi.org/10.1021/JF9911850
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
9,12-Octadecadienoic Acid	3931	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1002/PTR.1527
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1002/PTR.1527
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
Cupaniol	11212487	Click to see CC(=CCCC(=CCCC(=CCC(CCC(=CCCC(=CCO)C)C)C(=C)C)C)C)C	426.70	unknown	https://doi.org/10.1021/NP800188B
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Aphidicolane and stemodane diterpenoids
6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-5,13-diol	162814157	Click to see CC12CCC(C(C1CCC3=CC4CC23CCC4(CO)O)(C)CO)O	336.50	unknown	https://doi.org/10.1016/S0278-6915(99)00019-8
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Cembrane diterpenoids
(1R,2E,4S,7Z,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol	12444349	Click to see CC1=CCCC(C=CC(CCC(=CCC1)C)C(C)C)(C)O	290.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
Lushanrubescinsin C	10792035	Click to see CC(=O)OC1CC2CC3(C1C4(CC(C(C(C4C(C3)OC(=O)C)(C)C)OC(=O)C)OC(=O)C)C)C(=O)C2=C	518.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
(2E)-2,3,7-trimethylocta-2,6-dienoate	22565016	Click to see CC(=CCCC(=C(C)C(=O)[O-])C)C	181.25	unknown	via CMAUP database
3,7-Dimethyl-2,6-octadien-1-al	8843	Click to see CC(=CCCC(=CC=O)C)C	152.23	unknown	https://doi.org/10.1021/JF00067A018
beta-OCIMENE, (3E)-	5281553	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	https://doi.org/10.1080/10412905.1999.9701056 https://doi.org/10.1021/JF9911850
beta-Ocimene, (3Z)-	5320250	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	https://doi.org/10.1021/JF9911850
Geraniol	637566	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	https://doi.org/10.1021/JF072173E https://doi.org/10.1021/JF00067A018 https://doi.org/10.1080/10412905.1999.9701056
Linalool, (-)-	443158	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	via CMAUP database
Linalool, (+)-	67179	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	via CMAUP database
Linalool, (+/-)-	6549	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	https://doi.org/10.1021/JF072173E https://doi.org/10.1021/JF9911850 https://doi.org/10.1021/JF00067A018 https://doi.org/10.1021/JF990514L https://doi.org/10.1080/10412905.1999.9701056
Methyl geranate	5365910	Click to see CC(=CCCC(=CC(=O)OC)C)C	182.26	unknown	https://doi.org/10.1021/JF9911850
Methyl-3,7-dimethyl-2,6-octadienoate	70917	Click to see CC(=CCCC(=CC(=O)OC)C)C	182.26	unknown	via CMAUP database
Myrcene	31253	Click to see CC(=CCCC(=C)C=C)C	136.23	unknown	https://doi.org/10.1093/JAOAC/83.3.621 https://doi.org/10.1021/JF072173E https://doi.org/10.1021/JF9911850 https://doi.org/10.1080/10412905.2008.9699963 https://doi.org/10.1007/BF01970171 https://doi.org/10.1002/FFJ.2730040407 https://doi.org/10.1021/JF00067A018 https://doi.org/10.1021/JF990514L https://doi.org/10.1080/10412905.1999.9701056
Neral	643779	Click to see CC(=CCCC(=CC=O)C)C	152.23	unknown	https://doi.org/10.1021/JF00067A018
Nerol	643820	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
p-CYMENE	7463	Click to see CC1=CC=C(C=C1)C(C)C	134.22	unknown	via CMAUP database
Thymol	6989	Click to see CC1=CC(=C(C=C1)C(C)C)O	150.22	unknown	https://doi.org/10.1663/0013-0001(2003)057[0118:IOSMAO]2.0.CO;2
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(+)-alpha-Pinene	82227	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene	12223113	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
alpha-Bergamotene	86608	Click to see CC1=CCC2CC1C2(C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1021/JF9911850 https://doi.org/10.1080/10412905.2008.9699963
alpha-PINENE	6654	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	https://doi.org/10.1080/10412905.1999.9701056
beta-Pinene	14896	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	https://doi.org/10.1080/10412905.1999.9701056
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-	17868	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	via CMAUP database
Sabinen	18818	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	https://doi.org/10.1080/10412905.1999.9701056
trans-alpha-Bergaptene	6428986	Click to see CC1=CCC2CC1C2(C)CCC=C(C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(-)-alpha-Terpineol	443162	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	via CMAUP database
(R)-(+)-4-Isopropylcyclohex-1-ene-1-carboxaldehyde	12305140	Click to see CC(C)C1CCC(=CC1)C=O	152.23	unknown	via CMAUP database
alpha-Terpinene	7462	Click to see CC1=CC=C(CC1)C(C)C	136.23	unknown	https://doi.org/10.1080/10412905.1999.9701056
Alpha-Terpineol	17100	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	https://doi.org/10.1021/JF00067A018
Beta-Phellandrene	11142	Click to see CC(C)C1CCC(=C)C=C1	136.23	unknown	via CMAUP database
Limonene, (-)-	439250	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
Limonene, (+)-	440917	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
Limonene, (+/-)-	22311	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	https://doi.org/10.1080/10412905.1999.9701056
Phellandral	89488	Click to see CC(C)C1CCC(=CC1)C=O	152.23	unknown	via CMAUP database
Terpinolene	11463	Click to see CC1=CCC(=C(C)C)CC1	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids
(4S,5S)-3,4-dihydroxy-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one	44201359	Click to see CC(C)C(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O	348.40	unknown	via CMAUP database
2-Cyclohexen-1-one-4-carboxylic acid, 4-(3,7-dimethyl-2,6-octadien-1-yl)-3-methyl-, ethyl ester, (E)-	5374864	Click to see CCOC(=O)C1(CCC(=O)C=C1C)CC=C(C)CCC=C(C)C	318.40	unknown	via CMAUP database
cis-Isocohumulone	58473841	Click to see CC(C)C(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O	348.40	unknown	via CMAUP database
cis-Isohumulone	21594782	Click to see CC(C)CC(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O	362.50	unknown	via CMAUP database
Humulinone	534962	Click to see CC(C)CC(=O)C1=C(C(C(C1=O)(C(=O)CC=C(C)C)O)(CC=C(C)C)O)O	378.50	unknown	https://doi.org/10.1002/ELPS.200500714 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
Isohumulone	93090	Click to see CC(C)CC(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O	362.50	unknown	https://doi.org/10.1002/PCA.991 https://doi.org/10.1038/177183A0
Isohumulone, cis-	58473850	Click to see CC(C)CC(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O	362.50	unknown	via CMAUP database
Isohumulone, trans-	58473839	Click to see CC(C)CC(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O	362.50	unknown	via CMAUP database
trans-Isohumulone	11175902	Click to see CC(C)CC(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O	362.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols
Alpha-Tocopherol	14985	Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C	430.70	unknown	https://doi.org/10.5650/JOS1956.42.1003
Covi-ox	6560141	Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C	430.70	unknown	https://doi.org/10.5650/JOS1956.42.1003
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-alpha-Copaene	442355	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
(-)-alpha-Cubebene	86609	Click to see CC1CCC(C2C13C2C(=CC3)C)C(C)C	204.35	unknown	via CMAUP database
(+)-alpha-Muurolene	12306049	Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C	204.35	unknown	via CMAUP database
(+)-beta-Caryophyllene	20831623	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
(+)-Calamenene	11298625	Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C	202.33	unknown	via CMAUP database
(+)-delta-Cadinene	441005	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	https://doi.org/10.1080/10412905.2008.9699963 https://doi.org/10.1007/BF01970171 https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.1999.9701056
(+)-delta-Cadinol	11990360	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
(+)-Gamma-cadinene	6432404	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	https://doi.org/10.1080/10412905.1999.9701056 https://doi.org/10.1007/BF01970171 https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.2008.9699963 https://doi.org/10.1021/JF9911850
(+)(-)-(E)-beta-caryophyllene	14757966	Click to see CC1(CC2C1CCC(=C)CCCC2=C)C	204.35	unknown	via CMAUP database
(1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene	134687947	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	https://doi.org/10.1080/10412905.2008.9699963
(1R,2S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene	92042749	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	https://doi.org/10.1080/10412905.1999.9701056 https://doi.org/10.1021/JF00118A056
(1R,4aR,8aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol	5318734	Click to see CC(=C1CCC2(CCCC(C2C1)(C)O)C)C	222.37	unknown	via CMAUP database
(1R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol	5315594	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1021/JF9911850
(1R,4aR,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene	6432308	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	via CMAUP database
(1R,4aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene	5315589	Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.1999.9701056
(1R,4E,7E)-3,3,7-Trimethyl-11-methylene-4,7-cycloundecadien-1-ol	91747235	Click to see CC1=CCCC(=C)C(CC(C=CC1)(C)C)O	220.35	unknown	via CMAUP database
(1R,4E,8E)-6,6,9-trimethyl-2-methylidenecycloundeca-4,8-dien-1-ol	91748576	Click to see CC1=CCC(C=CCC(=C)C(CC1)O)(C)C	220.35	unknown	via CMAUP database
(1R,4S,4aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol	5315592	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://doi.org/10.1021/JF00118A056
(1S,2S,6S,7R,8R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene	101607926	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1021/JF00118A056
(1S,4Z,7Z)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-ol	91752730	Click to see CC1=CCCC(=C)C(CC(C=CC1)(C)C)O	220.35	unknown	via CMAUP database
(1S,5R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene	134779875	Click to see CC1CCC(C2C13C2C(=CC3)C)C(C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056
(1Z,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene	5879124	Click to see CC1=CCC(C=CCC(=C)CCC1)(C)C	204.35	unknown	via CMAUP database
(2R)-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol	6506009	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1080/10412905.2008.9699963
(4aR,8aS)-5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene	162862523	Click to see CC1=CCCC2(C1CC(=C(C)C)CC2)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)85414-X
(4aS,8aS)-8a-methyl-4-methylidene-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene	162920674	Click to see CC(=C1CCC2(CCCC(=C)C2C1)C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)85414-X
(4E,8Z)-6,6,9-trimethyl-2-methylidenecycloundeca-4,8-dien-1-one	5318099	Click to see CC1=CCC(C=CCC(=C)C(=O)CC1)(C)C	218.33	unknown	via CMAUP database
(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene	5322111	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
(E,E)-1,4,4-Trimethyl-8-methylene-1,5-cycloundecadiene	5318102	Click to see CC1=CCC(C=CCC(=C)CCC1)(C)C	204.35	unknown	via CMAUP database
(E,Z)-farnesol	1549109	Click to see CC(=CCCC(=CCCC(=CCO)C)C)C	222.37	unknown	https://doi.org/10.1021/JF00118A056
(E)-beta-farnesene	10407	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)97872-5
(Z)-caryophyllene	6429301	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
1-Ethenyl-1,2-dimethyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane	5317024	Click to see CC(=C1CCC(C(C1)(C)C(=C)C)(C)C=C)C	218.38	unknown	https://doi.org/10.1021/JF00118A056
1,2,4a,5,6,8a-Hexahydro-1-isopropyl-4,7-dimethylnaphthalene	101708	Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C	204.35	unknown	https://doi.org/10.1080/10412905.1999.9701056 https://doi.org/10.1246/BCSJ.43.2956 https://doi.org/10.1021/JF00118A056
1,3-Dimethyl-8-(1-methylethyl)-tricyclo[4.4.0.02,7]dec-3-ene	25245021	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-	23204	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	https://doi.org/10.1248/BPB.26.61
1,6-Dimethyl-4-isopropyltetralin	10224	Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C	202.33	unknown	https://doi.org/10.1021/JF00118A056
14-Hydroxy-beta-caryophyllene	91747526	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)CO	220.35	unknown	via CMAUP database
1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3aalpha,3bbeta,4beta,7alpha,7aS*)]-	6432083	Click to see CC1CCC(C2C13C2C(=C)CC3)C(C)C	204.35	unknown	via CMAUP database
2-Isopropenyl-1-methyl-4-(1-methylethylidene)-1-vinylcyclohexane	6432312	Click to see CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056
3,7(11)-Eudesmadiene	522296	Click to see CC1=CCCC2(C1CC(=C(C)C)CC2)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)85414-X https://doi.org/10.1016/S0031-9422(00)85970-1
4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol	519662	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)-	6604672	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
alpha-Bisabolol	10586	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1080/10412905.2008.9699963
alpha-Cadinene, (+)-	12306048	Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C	204.35	unknown	https://doi.org/10.1080/10412905.1999.9701056 https://doi.org/10.1021/JF00118A056 https://doi.org/10.1246/BCSJ.43.2956
alpha-Cadinol	10398656	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://doi.org/10.1021/JF00118A056
alpha-Cadinol #1	6431302	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
alpha-Copaene	70678558	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
alpha-Corocalene	5316074	Click to see CC1=CC2=C(C=CC(=C2CC1)C)C(C)C	200.32	unknown	via CMAUP database
alpha-Cubebene	442359	Click to see CC1CCC(C2C13C2C(=CC3)C)C(C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056
Alpha-Farnesene	5281516	Click to see CC(=CCCC(=CCC=C(C)C=C)C)C	204.35	unknown	https://doi.org/10.1021/JF00067A018
alpha-Guaiene	5317844	Click to see CC1CCC(CC2=C1CCC2C)C(=C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056
alpha-Muurolene	12306047	Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.1999.9701056
beta Farnesene	15228937	Click to see CCC(=C)CCC=C(C)CCC=C(C)C	206.37	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1021/JF9911850
beta-Cadinene	10657	Click to see CC1=CCC2C(C1)C(CC=C2C)C(C)C	204.35	unknown	https://doi.org/10.1021/JF9911850
beta-CARYOPHYLLENE OXIDE	1742210	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	https://doi.org/10.1271/BBB1961.47.2099 https://doi.org/10.1021/JF00067A018 https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.1999.9701056
beta-Cubebene	93081	Click to see CC1CCC(C2C13C2C(=C)CC3)C(C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.1999.9701056 https://doi.org/10.1021/JF9911850
beta-Farnesene	5281517	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	https://doi.org/10.1021/JF00067A018 https://doi.org/10.1016/S0031-9422(00)97872-5
beta-Farnesene, (6Z)-	5317319	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	via CMAUP database
beta-Ionone	638014	Click to see CC1=C(C(CCC1)(C)C)C=CC(=O)C	192.30	unknown	via CMAUP database
Cadalene	10225	Click to see CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C	198.30	unknown	https://doi.org/10.1021/JF00118A056
Cadina-1(10),4-diene	10223	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	https://doi.org/10.1080/10412905.2008.9699963 https://doi.org/10.1007/BF01970171 https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.1999.9701056
Cadinol isomer	91747945	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	via CMAUP database
Calamenene	6429077	Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C	202.33	unknown	https://doi.org/10.1021/JF00118A056
Caryophyllene	5281515	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1021/JF9911850 https://doi.org/10.1080/10412905.2008.9699963 https://doi.org/10.1007/BF01970171 https://doi.org/10.1021/JF00067A018 https://doi.org/10.1080/10412905.1999.9701056
Caryophyllene epoxide	14350	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	https://doi.org/10.1021/JF00067A018 https://doi.org/10.1021/JF00118A056 https://doi.org/10.1271/BBB1961.50.1903 https://doi.org/10.1080/10412905.1999.9701056
Caryophyllene oxide 2	13240188	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
Caryophyllene,alpha + beta mixt.	5354499	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1080/10412905.2008.9699963 https://doi.org/10.1021/JF9911850 https://doi.org/10.1093/JAOAC/83.3.621
Cedrelanol	160799	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://doi.org/10.1021/JF00118A056
Copaene	12303902	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
Copaene	19725	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.1999.9701056
Copaene, (+)-	636457	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
Cubebene	518814	Click to see CC1CCC(C2C13C2C(=C)CC3)C(C)C	204.35	unknown	via CMAUP database
Cubenol	11770062	Click to see CC1CCC(C2C1(CCC(=C2)C)O)C(C)C	222.37	unknown	https://doi.org/10.1021/JF00118A056
delta-Cadinene	12306054	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	via CMAUP database
delta-Cadinol	3084311	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1021/JF9911850
Delta-Guaiene	94275	Click to see CC1CCC2=C(CCC(CC12)C(=C)C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056
Epicubenol	12046149	Click to see CC1CCC(C2C1(CCC(=C2)C)O)C(C)C	222.37	unknown	https://doi.org/10.1021/JF00118A056
Farnesol	3327	Click to see CC(=CCCC(=CCCC(=CCO)C)C)C	222.37	unknown	https://doi.org/10.1021/JF00118A056
gamma-Bisabolene, (Z)-	3033866	Click to see CC1=CCC(=C(C)CCC=C(C)C)CC1	204.35	unknown	https://doi.org/10.1080/10412905.2008.9699963
gamma-Cadinene	15094	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	https://doi.org/10.1080/10412905.1999.9701056 https://doi.org/10.1007/BF01970171 https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.2008.9699963 https://doi.org/10.1021/JF9911850
gamma-Calacorene	14038842	Click to see CC1CC=C(C2=C1C=CC(=C2)C)C(C)C	200.32	unknown	via CMAUP database
gamma-Muurolene	12313020	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1021/JF9911850
gamma-Selinene	521334	Click to see CC(=C1CCC2(CCCC(=C)C2C1)C)C	204.35	unknown	https://doi.org/10.1021/JF9911850 https://doi.org/10.1016/S0031-9422(00)85970-1 https://doi.org/10.1016/S0031-9422(00)85414-X
Humulane	5318100	Click to see CC1CCCC(CCC(CCC1)(C)C)C	210.40	unknown	via CMAUP database
Humulene	5281520	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	https://doi.org/10.1080/10412905.2008.9699963 https://doi.org/10.1021/JF990514L https://doi.org/10.1007/BF01970171 https://doi.org/10.1093/JAOAC/83.3.621 https://doi.org/10.1248/BPB.26.61 https://doi.org/10.1021/JF00067A018 https://doi.org/10.1021/JF9911850 https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.1999.9701056 https://doi.org/10.1002/FFJ.2730040407
Humulenol II	102115341	Click to see CC1=CCC(C=CCC(=C)C(CC1)O)(C)C	220.35	unknown	https://doi.org/10.1021/JF00067A018 https://doi.org/10.1021/JF00118A056 https://doi.org/10.1271/BBB1961.47.2099
Isocaryophyllene	5281522	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
Isocaryophyllene oxide	1742211	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
Juniper camphor	521214	Click to see CC(=C1CCC2(CCCC(C2C1)(C)O)C)C	222.37	unknown	https://doi.org/10.1021/JF00118A056
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethylidene)-, (4aR-trans)-	6432648	Click to see CC1=CCCC2(C1CC(=C(C)C)CC2)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)85414-X https://doi.org/10.1016/S0031-9422(00)85970-1
Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-	519298	Click to see CC1CCC(C2C1=CCC(=C2)C)C(C)C	204.35	unknown	via CMAUP database
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-	12306059	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	via CMAUP database
Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)-, (4aR-trans)-	6432497	Click to see CC(=C1CCC2(CCCC(=C)C2C1)C)C	204.35	unknown	via CMAUP database
Selina-3,7-diene	6429221	Click to see CC1=CCCC2(C1CC(=CC2)C(C)C)C	204.35	unknown	via CMAUP database
Selina-4(15),7(11)-diene	10655819	Click to see CC(=C1CCC2(CCCC(=C)C2C1)C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)85414-X https://doi.org/10.1016/S0031-9422(00)85970-1
tau-Muurolol	6432221	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
trans-Calamenene	6429022	Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C	202.33	unknown	via CMAUP database
Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer	6432119	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
Zingiberene	92776	Click to see CC1=CCC(C=C1)C(C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1080/10412905.2008.9699963
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aristolane sesquiterpenoids
(7S,7aS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene	6432176	Click to see CC1CCC=C2C1(C3C(C3(C)C)CC2)C	204.35	unknown	via CMAUP database
1H-Cyclopropa(a)naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR-(1aalpha,7alpha,7aalpha,7balpha))-	15560278	Click to see CC1CCC=C2C1(C3C(C3(C)C)CC2)C	204.35	unknown	via CMAUP database
Calarene	28481	Click to see CC1CCC=C2C1(C3C(C3(C)C)CC2)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(1aR,4aR,7R,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene	12305246	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	https://doi.org/10.1021/JF00118A056
(1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol	91746597	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1021/JF00118A056
(1aR,4S,4aR,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol	137704583	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1021/JF00118A056
(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene	91746456	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	https://doi.org/10.1021/JF00118A056
(1aS,4aS,7S,7aR,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol	97032059	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	https://doi.org/10.1021/JF00118A056
(7aR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol	5321422	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	https://doi.org/10.1021/JF00118A056
Alloaromadendren	91746537	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.2008.9699963
alpha-Gurjunene	15560276	Click to see CC1CCC2C(C2(C)C)C3=C(CCC13)C	204.35	unknown	https://doi.org/10.1021/JF00118A056
Aromadendrene	91354	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	https://doi.org/10.1021/JF00118A056
decahydro-1,1,7-trimethylspiro[4H-cycloprop[e]azulene-4,2'-oxirane]	528759	Click to see CC1CCC2C1C3C(C3(C)C)CCC24CO4	220.35	unknown	https://doi.org/10.1021/JF00118A056
Globulol	101716	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1021/JF00118A056
Ledum camphor	22297324	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1021/JF00118A056
Palustrol	110745	Click to see CC1CCC2(C1C3C(C3(C)C)CCC2C)O	222.37	unknown	https://doi.org/10.1021/JF00118A056
Viridiflorene	10910653	Click to see CC1CCC2=C(CCC3C(C12)C3(C)C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056
Viridiflorol	11996452	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1021/JF00118A056
Viridiflorol (incomplete stereochemistry)	94174	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1021/JF00118A056
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Bicyclogermacrane and isolepidozane sesquiterpenoids
(1S,2E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene	44583886	Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C	204.35	unknown	https://doi.org/10.1021/JF00118A056
Bicyclogermacrene	5315347	Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C	204.35	unknown	https://doi.org/10.1021/JF00118A056
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
(3R,4aR,8aS)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene	12309811	Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)85414-X
(3S,4aS,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene	12309813	Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)85414-X
7-epi-alpha-Selinene	10123	Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1007/BF01970171 https://doi.org/10.1016/S0031-9422(00)85414-X https://doi.org/10.1080/10412905.1999.9701056
7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene	519361	Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)85414-X
alpha-Eudesmol	92762	Click to see CC1=CCCC2(C1CC(CC2)C(C)(C)O)C	222.37	unknown	https://doi.org/10.1021/JF00118A056
alpha-Selinene	10856614	Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1007/BF01970171 https://doi.org/10.1080/10412905.1999.9701056
beta-EUDESMOL	91457	Click to see CC12CCCC(=C)C1CC(CC2)C(C)(C)O	222.37	unknown	https://doi.org/10.1021/JF00118A056
beta-Selinene	442393	Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C	204.35	unknown	https://doi.org/10.1080/10412905.1999.9701056 https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.2008.9699963 https://doi.org/10.1021/JF9911850
delta-Selinene	520383	Click to see CC1=C2C=C(CCC2(CCC1)C)C(C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056
gamma-EUDESMOL	6432005	Click to see CC1=C2CC(CCC2(CCC1)C)C(C)(C)O	222.37	unknown	https://doi.org/10.1021/JF00118A056
Selin-11-en-4-ol	6428433	Click to see CC(=C)C1CCC2(CCCC(C2C1)(C)O)C	222.37	unknown	https://doi.org/10.1021/JF00118A056
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
(+)-Germacrene D	24771782	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
(1E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene	74764030	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
(1Z,4E)-germacrene B	5371080	Click to see CC1=CCCC(=CCC(=C(C)C)CC1)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)85970-1
(1Z,6Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene	5373727	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
(1Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene	92003564	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
(6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene	49796490	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
(S,1Z,6Z)-8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene	91723653	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.1999.9701056
1-Methyl-5-methylene-8-(1-methylethyl)-1,6-cyclodecadiene	6436582	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
1,5-Dimethyl-8-(propan-2-ylidene)cyclodeca-1,5-diene	177602	Click to see CC1=CCCC(=CCC(=C(C)C)CC1)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)85970-1
Germacrene B	5281519	Click to see CC1=CCCC(=CCC(=C(C)C)CC1)C	204.35	unknown	https://doi.org/10.1021/JF00118A056
Germacrene D	5317570	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.1999.9701056
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Triquinane sesquiterpenoids / Angular triquinanes
Tricyclodehydroisohumulone	442926	Click to see CC(C)CC(=O)C1=C(C23CC(C(C2CC(=O)C3(C1=O)O)(C)C)C(=C)C)O	360.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
(1S,4aS,6S,7R,7aR)-6-hydroxy-7-methyl-1-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid	163193095	Click to see CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O	376.36	unknown	https://doi.org/10.1021/NP0499113
[8-[7-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbonyl]oxy-3,7-dimethyloctyl] 7-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate	163033704	Click to see CC(CCCC(C)COC(=O)C1=COC(C2C1CCC2(C)O)OC3C(C(C(C(O3)CO)O)O)O)CCOC(=O)C4=COC(C5C4CCC5(C)O)OC6C(C(C(C(O6)CO)O)O)O	891.00	unknown	https://doi.org/10.1021/NP0499113 https://doi.org/10.1248/BPB.26.61
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Ambrosanolides and secoambrosanolides
8-Hydroxy-8a-(hydroxymethyl)-1,5-dimethyl-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-2-one	162997112	Click to see CC1CC2C(CC3(C1CCC3O)CO)C(C(=O)O2)C	268.35	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
alpha-Amyrin	73170	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C	426.70	unknown	via CMAUP database
delta-Amyrin	12358447	Click to see CC1(CCC2(CCC3(C(=C2C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)C	426.70	unknown	via CMAUP database
Lupeol	259846	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C	426.70	unknown	via CMAUP database
Urs-9(11),12-diene-3beta-ol	13996053	Click to see CC1CCC2(CCC3(C(=CC=C4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C	424.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
Ergosterol	444679	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C	396.60	unknown	https://doi.org/10.1021/JF071308D
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Cardenolides and derivatives
3-[(3S,5R,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one	11872742	Click to see CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5C3(CCC(C5)O)CO	390.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Cardenolides and derivatives / Cardenolide glycosides and derivatives
Calactin	441849	Click to see CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)O	532.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
(2S,6S,9R,10S,11R,15S,20S,23R)-10-hydroxy-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one	6325353	Click to see CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)(C)O	591.80	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
beta-Sitosterol 3-O-beta-D-galactopyranoside	296119	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
Sitogluside	5742590	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Vitamin D and derivatives
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol	71311077	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	via CMAUP database
(1S,3E)-3-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol	6432478	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	via CMAUP database
(1S,3E)-3-[2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol	91884638	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	via CMAUP database
(1S,3Z)-3-[(2E)-2-[(7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol	58855793	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	via CMAUP database
(1S,3Z)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol	44630173	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	via CMAUP database
(1S,3Z)-3-[(2Z)-2-[(1S,7aS)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol	91746237	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	via CMAUP database
(3Z)-3-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol	5315257	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	via CMAUP database
(3Z)-3-[(2Z)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol	71299657	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	via CMAUP database
3-{2-[1-(5,6-dimethylhept-3-en-2-yl)-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol	3249	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	via CMAUP database
5,6-trans-Vitamin D2	6536972	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	https://doi.org/10.1021/JF071308D
9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3b,5Z,7E,22E)-	86280331	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	via CMAUP database
Ergocalciferol	5280793	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	via CMAUP database
Viostdrol	5353610	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	396.60	unknown	via CMAUP database
Vitamin D2 (6,19,19-d3)	66577029	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	399.70	unknown	via CMAUP database
> Nucleosides, nucleotides, and analogues / Purine nucleotides / Purine ribonucleotides / Purine ribonucleoside monophosphates
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(3-methylbut-3-enyl)oxolan-2-yl]methyl dihydrogen phosphate	66969974	Click to see CC(=C)CCC1(C(C(C(O1)COP(=O)(O)O)O)O)N2C=NC3=C(N=CN=C32)N	415.34	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2004.08.006
[(2S,3R,4S,5S)-3,4-dihydroxy-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate	154496787	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)C	415.34	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2004.08.006
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
Acetic acid, (Z)-	9904352	Click to see CCN1C(=CC(=O)OCC)SC(C1=O)N2CCCCC2	298.40	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid esters
Alanine, N-methyl-N-allyloxycarbonyl-, pentyl ester	91717704	Click to see CCCCCOC(=O)C(C)N(C)C(=O)OCC=C	257.33	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
L-pipecolate	6931663	Click to see C1CC[NH2+]C(C1)C(=O)[O-]	129.16	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
(2S)-4-methylidene-5-oxopyrrolidine-2-carboxylic acid	23588662	Click to see C=C1CC(NC1=O)C(=O)O	141.12	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Oligopeptides
2-[[2-[[2-[[4-Amino-2-[[3-carboxy-2-(decanoylamino)-3-hydroxypropanoyl]amino]butanoyl]amino]-3-carboxy-3-hydroxypropanoyl]amino]acetyl]amino]-5-[hydroxy(3-hydroxybutanoyl)amino]pentanoic acid	162994964	Click to see CCCCCCCCCC(=O)NC(C(C(=O)O)O)C(=O)NC(CCN)C(=O)NC(C(C(=O)O)O)C(=O)NCC(=O)NC(CCCN(C(=O)CC(C)O)O)C(=O)O	807.80	unknown	https://doi.org/10.1016/S0278-6915(99)00019-8
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
(S)-2-Methyl-1-butanol propionate	92284577	Click to see CCC(C)COC(=O)CC	144.21	unknown	via CMAUP database
[(2S)-2-methylbutyl] 2-methylpropanoate	13346174	Click to see CCC(C)COC(=O)C(C)C	158.24	unknown	via CMAUP database
2-Methylbutyl isobutyrate	97883	Click to see CCC(C)COC(=O)C(C)C	158.24	unknown	via CMAUP database
2-Methylbutyl propionate	102817	Click to see CCC(C)COC(=O)CC	144.21	unknown	via CMAUP database
2-Methylheptyl propanoate	6428912	Click to see CCCCCC(C)COC(=O)CC	186.29	unknown	via CMAUP database
3-Hexenyl isobutyrate	6365985	Click to see CCC=CCCOC(=O)C(C)C	170.25	unknown	via CMAUP database
cis-3-Hexenyl isobutyrate	5352539	Click to see CCC=CCCOC(=O)C(C)C	170.25	unknown	via CMAUP database
Ethyl isobutyrate	7342	Click to see CCOC(=O)C(C)C	116.16	unknown	https://doi.org/10.1021/JF990514L
Heptyl propionate	16670	Click to see CCCCCCCOC(=O)CC	172.26	unknown	via CMAUP database
Hexyl isobutyrate	16872	Click to see CCCCCCOC(=O)C(C)C	172.26	unknown	via CMAUP database
Isoamyl acetate	31276	Click to see CC(C)CCOC(=O)C	130.18	unknown	via CMAUP database
Isoamyl propionate	7772	Click to see CCC(=O)OCCC(C)C	144.21	unknown	via CMAUP database
Isobutyl isobutyrate	7351	Click to see CC(C)COC(=O)C(C)C	144.21	unknown	via CMAUP database
Isobutyl propionate	10895	Click to see CCC(=O)OCC(C)C	130.18	unknown	via CMAUP database
Isopentyl isobutyrate	519786	Click to see CC(C)CCOC(=O)C(C)C	158.24	unknown	via CMAUP database
Pentyl isobutyrate	75554	Click to see CCCCCOC(=O)C(C)C	158.24	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
Hydron;acetate	21980959	Click to see [H+].CC(=O)[O-]	60.05	unknown	via CMAUP database
Hydron;formate	18971002	Click to see [H+].C(=O)[O-]	46.03	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Tetracarboxylic acids and derivatives
[1-Acetyloxy-4a-hydroxy-6-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate	5318683	Click to see CC(C)CC(=O)OC1CC2(C(C13CO3)C(OC=C2COC(=O)C(C(C)C)OC(=O)CC(C)C)OC(=O)C)O	540.60	unknown	via CMAUP database
> Organic acids and derivatives / Vinylogous acids
3,5-dihydroxy-2-[(2R)-2-methylbutanoyl]-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one	154496108	Click to see CCC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O	414.60	unknown	https://doi.org/10.1016/J.JEP.2008.01.011
3,5-Dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(4-methylpentanoyl)cyclohexa-2,4-dien-1-one	101705387	Click to see CC(C)CCC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O	428.60	unknown	https://doi.org/10.1016/S0021-9673(97)00123-4 https://doi.org/10.1021/NP800740M
3,5-Dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-propanoylcyclohexa-2,4-dien-1-one	101705386	Click to see CCC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O	386.50	unknown	https://doi.org/10.1016/S0021-9673(97)00123-4 https://doi.org/10.1021/NP800740M
5-Hydroxy-2-(3-methylbutanoyl)-4,4,6-tris(3-methylbut-2-en-1-yl)-3-oxocyclohexa-1,5-dien-1-olate	25202387	Click to see CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)[O-]	413.60	unknown	via CMAUP database
Adlupulone	9909740	Click to see CCC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O	414.60	unknown	https://doi.org/10.1016/J.JCHROMB.2006.11.017 https://doi.org/10.1016/S0021-9673(97)00123-4 https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K https://doi.org/10.1021/NP800740M https://doi.org/10.18832/KP2009004 https://doi.org/10.1016/0021-9673(94)80337-4 https://doi.org/10.1021/JF034263Z
Colupulone	373677	Click to see CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O	400.50	unknown	https://doi.org/10.1016/J.JCHROMB.2006.11.017 https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K https://doi.org/10.1016/S0021-9673(97)00123-4 https://doi.org/10.1016/0031-9422(94)00614-Y https://doi.org/10.1021/NP800740M https://doi.org/10.1016/0021-9673(94)80337-4 https://doi.org/10.18832/KP2009004 https://doi.org/10.1021/JF034263Z
Hulupinic Acid	12310637	Click to see CC(=CCC1(C(=O)C(=C(C1=O)O)O)CC=C(C)C)C	264.32	unknown	https://doi.org/10.1021/NP0499113 https://doi.org/10.1002/J.2050-0416.1965.TB02024.X https://doi.org/10.1248/BPB.26.61
Hulupone	630403	Click to see CC(C)CC(=O)C1=C(C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C)O	332.40	unknown	https://doi.org/10.18832/KP1985020
Lupulone	68051	Click to see CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O	414.60	unknown	https://doi.org/10.1016/J.JCHROMB.2006.11.017 https://doi.org/10.1016/0021-9673(94)80337-4 https://doi.org/10.1248/BPB.26.61 https://doi.org/10.1093/CARCIN/BGM080 https://doi.org/10.1016/J.PHYTOCHEM.2003.08.026 https://doi.org/10.1002/ELPS.200500714 https://doi.org/10.1038/177183A0 https://doi.org/10.1271/BBB.59.740 https://doi.org/10.1021/JF034263Z https://doi.org/10.1016/S0021-9673(97)00123-4 https://doi.org/10.1021/NP0499113 https://doi.org/10.1016/0031-9422(94)00614-Y https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K https://doi.org/10.1021/NP800740M https://doi.org/10.1021/NP0499113 https://doi.org/10.1248/BPB.26.61
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
(1R,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid	91492	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid	123272964	Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O	368.30	unknown	via CMAUP database
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid	9476	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
(3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]cyclohexane-1-carboxylic acid	101639422	Click to see C1C(C(C(CC1(C(=O)O)O)O)C(=O)C=CC2=CC=C(C=C2)O)O	322.31	unknown	via CMAUP database
(3S,5S)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid	101024370	Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(CC(CC2O)(C(=O)O)O)O)O	368.30	unknown	via CMAUP database
3-O-Feruloylquinic acid	9799386	Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O	368.30	unknown	via CMAUP database
4-Feruloylquinic acid	10177048	Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(CC(CC2O)(C(=O)O)O)O)O	368.30	unknown	via CMAUP database
5-p-Coumaroylquinic acid, (Z)-	90478782	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O	338.31	unknown	via CMAUP database
Chlorogenic Acid	1794427	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	https://doi.org/10.1002/ELPS.200500714
cis-Chlorogenic acid	1794425	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
Cryptochlorogenic acid	9798666	Click to see C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O	354.31	unknown	via CMAUP database
Feruloyl quinic acid (isomer of 886, 888)	6171347	Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(CC(CC2O)(C(=O)O)O)O)O	368.30	unknown	via CMAUP database
Isochlorogenic acid	5315832	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
Neochlorogenic acid	5280633	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
trans-5-O-(4-coumaroyl)-D-quinic acid	6441280	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O	338.31	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
2-Methyl-3-buten-1-ol	94292	Click to see CC(CO)C=C	86.13	unknown	via CMAUP database
Isoamyl alcohol	31260	Click to see CC(C)CCO	88.15	unknown	https://doi.org/10.1016/S0031-9422(00)85643-5
Prenol	11173	Click to see CC(=CCO)C	86.13	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
2-Methyl-3-buten-2-ol	8257	Click to see CC(C)(C=C)O	86.13	unknown	via CMAUP database
beta-Caryophyllene alcohol	61125	Click to see CC1(CC2C1CCC3(CCCC2(C3)O)C)C	222.37	unknown	https://doi.org/10.1021/JF00118A056
Linalool, oxide	102611	Click to see CC(=CCCC(C)(C1CO1)O)C	170.25	unknown	via CMAUP database
Pentacyclo[4.2.0.02,5.03,8.04,7]oct-2-en-1-ol	53436347	Click to see C12C3C4C1C5(C2C3=C45)O	118.13	unknown	https://doi.org/10.1021/JF00118A056
Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, (1R,2S,5R,8S)-	11746218	Click to see CC1(CC2C1CCC3(CCCC2(C3)O)C)C	222.37	unknown	https://doi.org/10.1021/JF00118A056
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-	294	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	https://doi.org/10.1002/ELPS.200500714
dihydroascorbigen 5'-O-beta-D-glucoside	46944661	Click to see C1=CC=C2C(=C1)C(=CN2)CC3(C(C(OC3=O)C(CO)OC4C(C(C(C(O4)CO)O)O)O)O)O	469.40	unknown	https://doi.org/10.1016/S0278-6915(99)00019-8
Gal(a1-4)a-Ido	131632347	Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O	342.30	unknown	https://doi.org/10.1002/ELPS.200500714
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
(2R)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-methylbutan-1-one	162880669	Click to see CCC(C)C(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)O	372.40	unknown	https://doi.org/10.1021/NP050164Z
(2Z)-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid	54036359	Click to see C1=CC(=CC=C1C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O	326.30	unknown	via CMAUP database
1-[(3-methylbutanoyl)phloroglucinyl]-beta-D-glucopyranoside	11485574	Click to see CC(C)CC(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)O	372.40	unknown	https://doi.org/10.1021/NP050164Z
1-[2-hydroxy-4,6-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-2-methylpropan-1-one	69178132	Click to see CC(C)C(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)O	520.50	unknown	via CMAUP database
1-[2,4-Dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-methylbutan-1-one	5323592	Click to see CCC(C)C(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)O	372.40	unknown	https://doi.org/10.1021/NP050164Z
1-[2,4-Dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methylbutan-1-one	5326314	Click to see CC(C)CC(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)O	372.40	unknown	https://doi.org/10.1021/NP050164Z
1-[2,6-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-methylpropan-1-one	5326318	Click to see CC(C)C(=O)C1=C(C=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)O	358.34	unknown	https://doi.org/10.1021/NP050164Z
1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-2-methyl-	11566620	Click to see CC(C)C(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)O	358.34	unknown	https://doi.org/10.1021/NP050164Z
2-hydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxybenzoic acid	91481131	Click to see C1C(C(C(C(O1)OC2=CC(=C(C=C2)O)C(=O)O)O)O)O	286.23	unknown	via CMAUP database
4-(beta-D-glucosyloxy)benzoic acid	440186	Click to see C1=CC(=CC=C1C(=O)O)OC2C(C(C(C(O2)CO)O)O)O	300.26	unknown	via CMAUP database
5-(2-Methylpropanoyl)-phloroglucinol-glucopyranoside	11610142	Click to see CC(C)C(=O)C1=C(C=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)O	358.34	unknown	https://doi.org/10.1021/NP050164Z
Phlorisobutyrophenone 2-glucoside	73009474	Click to see CC(C)C(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)O	358.34	unknown	https://doi.org/10.1021/NP050164Z
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
(2S,4aS,4bR,6R,7R,10aR)-2,6-dihydroxy-7-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4b-methyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3H-phenanthren-1-one	25232559	Click to see CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC(C6=O)(C7=C(OC=C7)C)O)C)C)OC)O	764.90	unknown	https://doi.org/10.1021/NP800188B
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
Glycerin	753	Click to see C(C(CO)O)O	92.09	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / 1,3-dicarbonyl compounds / Beta-diketones
(4Z)-2-hydroxy-4-(1-hydroxy-2-methylbutylidene)-2,6-bis(3-methylbut-2-enyl)cyclohexane-1,3,5-trione	45114757	Click to see CCC(C)C(=C1C(=O)C(C(=O)C(C1=O)(CC=C(C)C)O)CC=C(C)C)O	362.50	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Acyloins
(4R)-3,4,5-Trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(2-methylbutyryl)-2,5-cyclohexadien-1-one	46239916	Click to see CCC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O	362.50	unknown	https://doi.org/10.1094/ASBCJ-44-0091 https://doi.org/10.1016/J.JCHROMB.2006.11.017 https://doi.org/10.1016/0021-9673(94)80337-4 https://doi.org/10.1021/JF034263Z https://doi.org/10.18832/KP2009004 https://doi.org/10.1002/1099-1565(200101/02)12:1<53::AID-PCA550>3.0.CO;2-E https://doi.org/10.1016/S0021-9673(97)00123-4 https://doi.org/10.1016/0031-9422(94)00614-Y https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K https://doi.org/10.1021/NP800740M https://doi.org/10.1016/0021-9673(94)80627-6
(4R)-3,4,5-Trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(2-methylpropanoyl)-2,5-cyclohexadien-1-one	25200458	Click to see CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O	348.40	unknown	https://doi.org/10.1016/J.JEP.2008.01.011
(4R)-4,5-dihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)-3-oxocyclohexa-1,5-dien-1-olate	25203320	Click to see CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)[O-]	361.50	unknown	via CMAUP database
(6R)-3,5,6-trihydroxy-2-[(2R)-2-methylbutanoyl]-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one	154496106	Click to see CCC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O	362.50	unknown	https://doi.org/10.1016/J.JEP.2008.01.011
(R)-Humulone	549481	Click to see CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O	362.50	unknown	https://doi.org/10.1094/ASBCJ-44-0091 https://doi.org/10.1016/J.JCHROMB.2006.11.017 https://doi.org/10.1016/0021-9673(94)80337-4 https://doi.org/10.1271/BBB.61.158 https://doi.org/10.1055/S-2006-959790 https://doi.org/10.1016/J.PHYTOCHEM.2003.08.026 https://doi.org/10.1002/ELPS.200500714 https://doi.org/10.1271/BBB.59.740 https://doi.org/10.1021/JF034263Z https://doi.org/10.1021/JF050222M https://doi.org/10.1002/1099-1565(200101/02)12:1<53::AID-PCA550>3.0.CO;2-E https://doi.org/10.1016/S0021-9673(97)00123-4 https://doi.org/10.1002/PTR.2650070218 https://doi.org/10.1046/J.1432-1327.1999.00518.X https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K https://doi.org/10.1016/0021-9673(94)80627-6
2-(1-Oxo-4-methylpentyl)-3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2,4-cyclohexadien-1-one	90473758	Click to see CC(C)CCC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O	376.50	unknown	https://doi.org/10.1016/S0021-9673(97)00123-4 https://doi.org/10.1021/NP800740M
3,5,6-Trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one	193681	Click to see CCC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O	362.50	unknown	via CMAUP database
Ad-humulone	44566583	Click to see CC(C)C(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O	376.50	unknown	via CMAUP database
alpha-Lupulic acid	72625	Click to see CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O	362.50	unknown	https://doi.org/10.1094/ASBCJ-44-0091 https://doi.org/10.1016/J.JCHROMB.2006.11.017 https://doi.org/10.1016/0021-9673(94)80337-4 https://doi.org/10.1271/BBB.61.158 https://doi.org/10.1055/S-2006-959790 https://doi.org/10.1016/J.PHYTOCHEM.2003.08.026 https://doi.org/10.1002/ELPS.200500714 https://doi.org/10.1271/BBB.59.740 https://doi.org/10.1021/JF050222M https://doi.org/10.18832/KP2009004 https://doi.org/10.1002/1099-1565(200101/02)12:1<53::AID-PCA550>3.0.CO;2-E https://doi.org/10.1016/S0021-9673(97)00123-4 https://doi.org/10.1002/PTR.2650070218 https://doi.org/10.1046/J.1432-1327.1999.00518.X https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K https://doi.org/10.1021/NP800740M https://doi.org/10.1016/0021-9673(94)80627-6
Co-humulone	44566590	Click to see CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O	348.40	unknown	via CMAUP database
Cohumulone	196915	Click to see CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O	348.40	unknown	https://doi.org/10.1094/ASBCJ-44-0091 https://doi.org/10.1016/J.JCHROMB.2006.11.017 https://doi.org/10.1016/0021-9673(94)80337-4 https://doi.org/10.1016/J.JEP.2008.01.011 https://doi.org/10.1002/ELPS.200500714 https://doi.org/10.18832/KP2009004 https://doi.org/10.1002/1099-1565(200101/02)12:1<53::AID-PCA550>3.0.CO;2-E https://doi.org/10.1016/S0021-9673(97)00123-4 https://doi.org/10.1016/S0031-9422(02)00376-X https://doi.org/10.1016/0031-9422(94)00614-Y https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K https://doi.org/10.1021/NP800740M https://doi.org/10.1016/0021-9673(94)80627-6
Humulone	442911	Click to see CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O	362.50	unknown	via CMAUP database
Posthumulone	12314502	Click to see CCC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O	334.40	unknown	https://doi.org/10.1016/S0021-9673(97)00123-4 https://doi.org/10.1021/NP800740M
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
3-(Methylthio)propionaldehyde	18635	Click to see CSCCC=O	104.17	unknown	https://doi.org/10.1021/JF990514L
Isovaleraldehyde	11552	Click to see CC(C)CC=O	86.13	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
Furfural	7362	Click to see C1=COC(=C1)C=O	96.08	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
(Z)-2-hexenal	6428782	Click to see CCCC=CC=O	98.14	unknown	via CMAUP database
2-Hexenal	5281168	Click to see CCCC=CC=O	98.14	unknown	via CMAUP database
Decanal	8175	Click to see CCCCCCCCCC=O	156.26	unknown	via CMAUP database
Heptanal	8130	Click to see CCCCCCC=O	114.19	unknown	via CMAUP database
Hexanal	6184	Click to see CCCCCC=O	100.16	unknown	https://doi.org/10.1021/JF990514L
Nonanal	31289	Click to see CCCCCCCCC=O	142.24	unknown	https://doi.org/10.1021/JF990514L
Octanal	454	Click to see CCCCCCCC=O	128.21	unknown	https://doi.org/10.1021/JF990514L
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals
3-Methyl-2-butenal	61020	Click to see CC(=CC=O)C	84.12	unknown	https://doi.org/10.1016/S0031-9422(00)85643-5
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Alpha-branched alpha,beta-unsaturated ketones
3-Methyl-3-buten-2-one	13143	Click to see CC(=C)C(=O)C	84.12	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
1-Octen-3-one	61346	Click to see CCCCCC(=O)C=C	126.20	unknown	https://doi.org/10.1021/JF990514L
Damascenone	5366074	Click to see CC=CC(=O)C1=C(C=CCC1(C)C)C	190.28	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
4-Hydroxybenzaldehyde	126	Click to see C1=CC(=CC=C1C=O)O	122.12	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
4-Hydroxybenzaldehyde-d5	10701848	Click to see C1=CC(=CC=C1C=O)O	127.15	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
(3R)-3-methylpentan-2-one	6999802	Click to see CCC(C)C(=O)C	100.16	unknown	via CMAUP database
(S)-3-Methyl-2-pentanone	6994393	Click to see CCC(C)C(=O)C	100.16	unknown	via CMAUP database
2-Decanone	12741	Click to see CCCCCCCCC(=O)C	156.26	unknown	via CMAUP database
2-Dodecanone	22556	Click to see CCCCCCCCCCC(=O)C	184.32	unknown	via CMAUP database
2-Heptadecanone	18027	Click to see CCCCCCCCCCCCCCCC(=O)C	254.50	unknown	via CMAUP database
2-Heptanone	8051	Click to see CCCCCC(=O)C	114.19	unknown	via CMAUP database
2-Hexanone	11583	Click to see CCCCC(=O)C	100.16	unknown	via CMAUP database
2-Nonanone	13187	Click to see CCCCCCCC(=O)C	142.24	unknown	via CMAUP database
2-Pentadecanone	61303	Click to see CCCCCCCCCCCCCC(=O)C	226.40	unknown	via CMAUP database
2-Tetradecanone	75364	Click to see CCCCCCCCCCCCC(=O)C	212.37	unknown	via CMAUP database
2-Tridecanone	11622	Click to see CCCCCCCCCCCC(=O)C	198.34	unknown	https://doi.org/10.1021/JF9911850
2-Undecanone	8163	Click to see CCCCCCCCCC(=O)C	170.29	unknown	via CMAUP database
3-Methyl-2-butanone	11251	Click to see CC(C)C(=O)C	86.13	unknown	https://doi.org/10.1016/S0031-9422(00)85643-5
3-Methyl-2-pentanone	11262	Click to see CCC(C)C(=O)C	100.16	unknown	via CMAUP database
4-Mercapto-4-methyl-2-pentanone	88290	Click to see CC(=O)CC(C)(C)S	132.23	unknown	https://doi.org/10.1021/JF072173E
6-Methyl-5-hepten-2-one	9862	Click to see CC(=CCCC(=O)C)C	126.20	unknown	via CMAUP database
Acetone	180	Click to see CC(=O)C	58.08	unknown	via CMAUP database
Hexadecan-2-one	29251	Click to see CCCCCCCCCCCCCCC(=O)C	240.42	unknown	via CMAUP database
Methyl isobutyl ketone	7909	Click to see CC(C)CC(=O)C	100.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
1-(4-Hydroxyphenyl)nonan-1-one	167093	Click to see CCCCCCCCC(=O)C1=CC=C(C=C1)O	234.33	unknown	https://doi.org/10.1016/0031-9422(91)83712-T
2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone	13411738	Click to see CC(C)C(=O)C1=C(C=C(C(=C1O)CC=C(C)C)O)O	264.32	unknown	https://doi.org/10.1016/S0031-9422(98)00179-4
3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one	441269	Click to see CC(C)CC(=O)C1=C(C=C(C=C1O)O)O	210.23	unknown	via CMAUP database
4-Deoxycohumulone	25203730	Click to see CC(C)C(=O)C1=C(C(=C(C(=C1O)CC=C(C)C)O)CC=C(C)C)O	332.40	unknown	https://doi.org/10.1016/S0031-9422(98)00179-4
4'-Methylacetophenone	8500	Click to see CC1=CC=C(C=C1)C(=O)C	134.17	unknown	via CMAUP database
Acetophenone	7410	Click to see CC(=O)C1=CC=CC=C1	120.15	unknown	via CMAUP database
Deoxyhumulone	6450808	Click to see CC(C)CC(=O)C1=C(C(=C(C(=C1O)CC=C(C)C)O)CC=C(C)C)O	346.50	unknown	https://doi.org/10.1016/S0031-9422(98)00179-4
Hexanophenone	70337	Click to see CCCCCC(=O)C1=CC=CC=C1	176.25	unknown	via CMAUP database
Phlorisobutyrophenone	5326317	Click to see CC(C)C(=O)C1=C(C=C(C=C1O)O)O	196.20	unknown	https://doi.org/10.1016/0031-9422(94)00614-Y https://doi.org/10.1046/J.1432-1327.1999.00444.X
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
Diethyl Ether	3283	Click to see CCOCC	74.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzofurans
(2R,3aR)-6-hydroxy-2-(2-hydroxypropan-2-yl)-3a,7-bis(3-methylbut-2-enyl)-5-(2-methylpropanoyl)-2,3-dihydro-1-benzofuran-4-one	163069024	Click to see CC(C)C(=O)C1=C(C(=C2C(C1=O)(CC(O2)C(C)(C)O)CC=C(C)C)CC=C(C)C)O	416.50	unknown	https://doi.org/10.1021/NP0499113
(2S,3aS)-6-hydroxy-2-(2-hydroxypropan-2-yl)-3a,7-bis(3-methylbut-2-enyl)-5-(2-methylpropanoyl)-2,3-dihydro-1-benzofuran-4-one	163069022	Click to see CC(C)C(=O)C1=C(C(=C2C(C1=O)(CC(O2)C(C)(C)O)CC=C(C)C)CC=C(C)C)O	416.50	unknown	https://doi.org/10.1021/NP0499113 https://doi.org/10.1248/BPB.26.61
(2S,3aS)-6-hydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbutanoyl)-3a,7-bis(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-4-one	162933297	Click to see CC(C)CC(=O)C1=C(C(=C2C(C1=O)(CC(O2)C(C)(C)O)CC=C(C)C)CC=C(C)C)O	430.60	unknown	https://doi.org/10.1021/NP0499113 https://doi.org/10.1248/BPB.26.61
Lupulone C	11212586	Click to see CC(C)CC(=O)C1=C2C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC(O2)C(C)(C)O	430.60	unknown	https://doi.org/10.1021/NP0499113
Lupulone D	11350917	Click to see CC(C)CC(=O)C1=C(C(=C2C(C1=O)(CC(O2)C(C)(C)O)CC=C(C)C)CC=C(C)C)O	430.60	unknown	https://doi.org/10.1021/NP0499113 https://doi.org/10.1248/BPB.26.61
Lupulone E	11774378	Click to see CC(C)C(=O)C1=C(C(=C2C(C1=O)(CC(O2)C(C)(C)O)CC=C(C)C)CC=C(C)C)O	416.50	unknown	https://doi.org/10.1021/NP0499113 https://doi.org/10.1248/BPB.26.61
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromones
Chromone, 5-hydroxy-6,7,8-trimethoxy-2,3-dimethyl-	5377709	Click to see CC1=C(OC2=C(C(=C(C(=C2C1=O)O)OC)OC)OC)C	280.27	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzoxepines
9-hydroxy-7-methoxy-3-methyl-3H-benzo[i][1]benzoxepin-2-one	75254438	Click to see CC1C=CC2=CC(=C3C=C(C=CC3=C2OC1=O)O)OC	270.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
> Organoheterocyclic compounds / Coumarans
1-[(2S)-5-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-4-yl]-2-methylpropan-1-one	163105037	Click to see CC(C)C(=O)C1=C(C=CC2=C1CC(O2)C(C)(C)O)O	264.32	unknown	https://doi.org/10.1021/NP0499113
1-[(2S)-6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]-2-methylpropan-1-one	162873417	Click to see CC(C)C(=O)C1=C(C=CC2=C1OC(C2)C(C)(C)O)O	264.32	unknown	https://doi.org/10.1021/NP0499113
Lupulone F	11414391	Click to see CC(C)C(=O)C1=C(C=CC2=C1OC(C2)C(C)(C)O)O	264.32	unknown	https://doi.org/10.1021/NP0499113
> Organoheterocyclic compounds / Diazanaphthalenes / Benzodiazines / Quinazolines / Tetrodotoxins
(1R,5R,6S,7S,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol	163195019	Click to see C(C1(C2C3C(N=C(NC34C(C1OC(C4O)(O2)O)O)N)O)O)O	319.27	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
> Organoheterocyclic compounds / Epoxides
(1R,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene	132587053	Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C	220.35	unknown	https://doi.org/10.1271/BBB1961.47.2099 https://doi.org/10.1021/JF00118A056 https://doi.org/10.1080/10412905.2008.9699963
(1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene	12900740	Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C	220.35	unknown	via CMAUP database
(4E,7E)-1,5,9,9-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene	22559443	Click to see CC1=CCCC2(C(O2)CC(C=CC1)(C)C)C	220.35	unknown	https://doi.org/10.1007/BF01970171
(8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene	101215174	Click to see CC1(CC2C(O2)(CCC3C(O3)(CC=C1)C)C)C	236.35	unknown	https://doi.org/10.1021/JF00067A018
Humulene epoxide	5352470	Click to see CC1=CCCC2(C(O2)CC(C=CC1)(C)C)C	220.35	unknown	via CMAUP database
Humulene epoxide II	10704181	Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C	220.35	unknown	via CMAUP database
Humulene epoxyde	5463721	Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C	220.35	unknown	https://doi.org/10.1021/JF00118A056 https://doi.org/10.1271/BBB1961.50.1903 https://doi.org/10.1080/10412905.2008.9699963
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
(2S)-2-ammonio-3-(1H-indol-3-yl)propanoate	6923516	Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])[NH3+]	204.22	unknown	via CMAUP database
2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetic acid	92449351	Click to see C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)O)O	207.18	unknown	via CMAUP database
D-Tryptophan	9060	Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N	204.22	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Pyridoindoles / Beta carbolines
(4S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid	93515731	Click to see C1C(C2=C(CN1)NC3=CC=CC=C32)C(=O)O	216.24	unknown	via CMAUP database
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)-	138243	Click to see CC(=O)CCC1CC(=O)OC1(C)C	184.23	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyrans
(4aR)-7-hydroxy-2,2-dimethyl-4a,8-bis(3-methylbut-2-enyl)-6-(2-methylpropanoyl)chromen-5-one	163190373	Click to see CC(C)C(=O)C1=C(C(=C2C(C1=O)(C=CC(O2)(C)C)CC=C(C)C)CC=C(C)C)O	398.50	unknown	https://doi.org/10.1021/NP0499113
(4aR)-7-hydroxy-2,2-dimethyl-6-(3-methylbutanoyl)-4a,8-bis(3-methylbut-2-enyl)chromen-5-one	162849220	Click to see CC(C)CC(=O)C1=C(C(=C2C(C1=O)(C=CC(O2)(C)C)CC=C(C)C)CC=C(C)C)O	412.60	unknown	https://doi.org/10.1021/NP0499113
(4aS)-7-hydroxy-2,2-dimethyl-6-(3-methylbutanoyl)-4a,8-bis(3-methylbut-2-enyl)chromen-5-one	162849219	Click to see CC(C)CC(=O)C1=C(C(=C2C(C1=O)(C=CC(O2)(C)C)CC=C(C)C)CC=C(C)C)O	412.60	unknown	https://doi.org/10.1021/NP0499113
Lupulone A	11223675	Click to see CC(C)CC(=O)C1=C(C(=C2C(C1=O)(C=CC(O2)(C)C)CC=C(C)C)CC=C(C)C)O	412.60	unknown	https://doi.org/10.1021/NP0499113
Lupulone B	11258041	Click to see CC(C)C(=O)C1=C(C(=C2C(C1=O)(C=CC(O2)(C)C)CC=C(C)C)CC=C(C)C)O	398.50	unknown	https://doi.org/10.1021/NP0499113
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives / Dihydropyranones
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one	119838	Click to see CC1=C(C(=O)C(CO1)O)O	144.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Tetrahydrofurans
2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol	6428573	Click to see CC1(CCC(O1)C(C)(C)O)C=C	170.25	unknown	via CMAUP database
Linalool oxide	22310	Click to see CC1(CCC(O1)C(C)(C)O)C=C	170.25	unknown	via CMAUP database
trans-Linalool oxide	6432254	Click to see CC1(CCC(O1)C(C)(C)O)C=C	170.25	unknown	via CMAUP database
> Organoheterocyclic compounds / Trithianes
1,2,4-Trithiane	14243801	Click to see C1CSSCS1	138.30	unknown	https://doi.org/10.1016/S0031-9422(00)82224-4
> Organosulfur compounds / Organic trisulfides
Dimethyl trisulfide	19310	Click to see CSSSC	126.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
Xanthohumol I	12986068	Click to see CC(C)(C1CC2=C(O1)C(=C(C=C2O)OC)C(=O)C=CC3=CC=C(C=C3)O)O	370.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
3,4-Dihydroxy cinnamic acid	2518	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	via CMAUP database
4-Hydroxycinnamic acid	322	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	via CMAUP database
Ferulic acid	445858	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	via CMAUP database
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1021/JF1049084
> Phenylpropanoids and polyketides / Diarylheptanoids / Linear diarylheptanoids / Curcuminoids
(E)-1-[3-[[2,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-methoxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4,6-dihydroxy-2-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	72706828	Click to see CC(=CCC1=C(C(=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)CC3=C(C(=C(C=C3O)O)C(=O)C=CC4=CC=C(C=C4)O)OC)O)C	652.70	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
(+)-Gallocatechin-(4alpha->8)-(+)-catechin	13831063	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	594.50	unknown	via CMAUP database
(2R,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol	5320711	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	https://doi.org/10.1021/JF0116202
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol	12967793	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	via CMAUP database
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol	24823045	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	via CMAUP database
Arecatannin A1	13752000	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O	866.80	unknown	via CMAUP database
Arecatannin C1	9876038	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O	866.80	unknown	via CMAUP database
CID 21881649	21881649	Click to see COC1=C(C=C(C=C1O)C2C(CC3=C(O2)C(=C(C=C3O)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O)O)O	592.50	unknown	via CMAUP database
Epicatechin-(4beta->6)-epicatechin-(4beta->8)-catechin	14309769	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=C(C(=C4)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O	866.80	unknown	via CMAUP database
Proanthocyanidin	108065	Click to see COC1=C(C=C(C=C1O)C2C(CC3=C(O2)C(=C(C=C3O)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O)O)O	592.50	unknown	https://doi.org/10.1016/S0040-4039(00)62004-X https://doi.org/10.1021/JF0340409
Procyanidin B1	11250133	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	via CMAUP database
Procyanidin B2, (+)-	122738	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	https://doi.org/10.1021/JF0116202
Procyanidin B3	146798	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	https://doi.org/10.1021/JF0116202
Procyanidin B4	147299	Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	578.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / 6-prenylated flavans / 6-prenylated flavanones
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one	3519901	Click to see CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O)C	340.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1002/PTR.2286 https://doi.org/10.1016/S0031-9422(96)00744-3
6-(3,7-Dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one	54494857	Click to see CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O)C)C	408.50	unknown	https://doi.org/10.1016/S0031-9422(00)00005-4
6-Prenylnaringenin	155094	Click to see CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O)C	340.40	unknown	https://doi.org/10.1016/S0031-9422(00)00005-4 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1002/PTR.2286 https://doi.org/10.1007/BF02490811 https://doi.org/10.1016/S0031-9422(96)00744-3 https://doi.org/10.1016/J.JSBMB.2005.04.038 https://doi.org/10.1210/JCEM.84.6.5887
7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-5-olate	25201555	Click to see CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)[O-])C	339.40	unknown	via CMAUP database
Bonannione A	5716903	Click to see CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O)C)C	408.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / 8-prenylated flavans / 8-prenylated flavanones
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one	92178680	Click to see CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=CC=C(C=C3)O)C	354.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
(2r)-8-Prenylnaringenin	676407	Click to see CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)C	340.40	unknown	via CMAUP database
(2S)-Isoxanthohumol	9928523	Click to see CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=CC=C(C=C3)O)C	354.40	unknown	via CMAUP database
2-(4-Hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-7-olate	25200491	Click to see CC(=CCC1=C2C(=C(C=C1[O-])OC)C(=O)CC(O2)C3=CC=C(C=C3)O)C	353.40	unknown	via CMAUP database
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one	3951	Click to see CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)CC=C(C)C)O)C	408.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
8-Prenylnaringenin	480764	Click to see CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)C	340.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1764547/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1002/PTR.2286 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1815392/ https://doi.org/10.1016/S0031-9422(96)00744-3 https://doi.org/10.1016/S0031-9422(00)00005-4 https://doi.org/10.1007/BF02490811 https://doi.org/10.1016/J.JSBMB.2005.04.038 https://doi.org/10.1016/J.JEP.2008.01.011 https://doi.org/10.1016/J.JEP.2009.06.018 https://doi.org/10.1210/JCEM.84.6.5887
Isoxanthohumol(Sophora)	513197	Click to see CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=CC=C(C=C3)O)C	354.40	unknown	https://doi.org/10.1016/S0278-6915(99)00019-8 https://doi.org/10.1016/J.JCHROMB.2006.11.017 https://doi.org/10.1271/BBB1961.48.2771 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1002/PTR.2286 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1815392/ https://doi.org/10.1016/S0031-9422(96)00744-3 https://doi.org/10.1016/S0031-9422(00)00005-4 https://doi.org/10.1016/S0031-9422(00)97849-X https://doi.org/10.1016/J.JSBMB.2005.04.038 https://doi.org/10.1002/ELPS.200500714 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1390442/
Mundulea flavanone B	42608071	Click to see CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OC)C	354.40	unknown	https://doi.org/10.1016/S0031-9422(00)00005-4
Senegalensin	124035	Click to see CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)CC=C(C)C)O)C	408.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
Sophoraflavanone B	509245	Click to see CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)C	340.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1764547/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1002/PTR.2286 https://doi.org/10.1016/S0031-9422(96)00744-3
sophoraflavanone B(1-)	25200892	Click to see CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)[O-])C	339.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
(-)-Catechin	73160	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	via CMAUP database
(+)-Epicatechin	182232	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	via CMAUP database
(+)-Leucocyanidin	155206	Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O	306.27	unknown	via CMAUP database
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol	11208959	Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O	306.27	unknown	via CMAUP database
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-2-[[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol	122173182	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C=C6)O)O	594.50	unknown	https://doi.org/10.1021/JF0340409
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol	1203	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	via CMAUP database
Cianidanol	9064	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	https://doi.org/10.1271/BBB.61.332 https://doi.org/10.1021/JF060395R https://doi.org/10.1021/JF0116202
Epicatechin	72276	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	https://doi.org/10.1271/BBB.61.332 https://doi.org/10.1021/JF060395R https://doi.org/10.1021/JF0116202
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
(-)-Gallocatechin	9882981	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O	306.27	unknown	via CMAUP database
Gallocatechin	65084	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O	306.27	unknown	https://doi.org/10.1021/JF060395R
Leucodelphinidin	44563331	Click to see C1=C(C=C(C(=C1O)O)O)C2C(C(C3=C(C=C(C=C3O2)O)O)O)O	322.27	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one	667495	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	via CMAUP database
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2R)-	667544	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3	256.25	unknown	via CMAUP database
5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one	932	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	via CMAUP database
Naringenin	439246	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones / Flavanonols
(-)-Epitaxifolin	712318	Click to see C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	304.25	unknown	via CMAUP database
(-)-Taxifolin	712316	Click to see C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	304.25	unknown	via CMAUP database
(+/-)-Taxifolin	471	Click to see C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	304.25	unknown	via CMAUP database
(2r)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one	10185	Click to see C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	304.25	unknown	via CMAUP database
(3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one	12309272	Click to see C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	304.25	unknown	via CMAUP database
Taxifolin	439533	Click to see C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	304.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Kaempferol	5280863	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	via CMAUP database
Quercetin	5280343	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	302.23	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
Phlorizin	6072	Click to see C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O	436.40	unknown	via CMAUP database
Spiraeoside	5320844	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O	464.40	unknown	https://doi.org/10.1002/ELPS.200500714
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one	5320854	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	448.40	unknown	https://doi.org/10.1135/CCCC19701595
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	51402807	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K https://doi.org/10.1248/BPB.31.527 https://doi.org/10.1271/BBB.61.332 https://doi.org/10.1016/S0021-9673(01)82447-X
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	5378597	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	via CMAUP database
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	20055286	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O	594.50	unknown	via CMAUP database
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	24211973	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O	594.50	unknown	via CMAUP database
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one	12313332	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O	594.50	unknown	via CMAUP database
Afzelin	5316673	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O	432.40	unknown	https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K
Astragalin	5282102	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	448.40	unknown	https://doi.org/10.1271/BBB.61.332 https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K https://doi.org/10.1021/JF1049084 https://doi.org/10.1248/BPB.31.527 https://doi.org/10.1016/S0021-9673(01)82447-X https://doi.org/10.1002/ELPS.200500714
Hyperasid	90657624	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-]	463.40	unknown	via CMAUP database
Hyperoside	5281643	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K https://doi.org/10.1021/JF1049084
Isoquercetin	5280804	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	via CMAUP database
Kaempferol 3-neohesperidoside	5318761	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O	594.50	unknown	via CMAUP database
kaempferol 3-O-beta-D-(6''-O-malonyl)-glucoside	14162699	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O	534.40	unknown	via CMAUP database
Kaempferol-3-O-rutinoside	5318767	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O	594.50	unknown	https://doi.org/10.1271/BBB.61.332 https://doi.org/10.1002/ELPS.200500714 https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K
myricetin 3-O-beta-D-glucopyranoside	5318606	Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O	480.40	unknown	via CMAUP database
Quercetin 3-neohesperidoside	5491657	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O	610.50	unknown	via CMAUP database
Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside	5282159	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O	550.40	unknown	via CMAUP database
Quercetin 3-O-rhamnoside	5353915	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	448.40	unknown	https://doi.org/10.1135/CCCC19701595
Quercitrin	5280459	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	448.40	unknown	https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K
Rutin	5280805	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1271/BBB.61.332 https://doi.org/10.1002/(SICI)1099-1565(199805/06)9:3<145::AID-PCA393>3.0.CO;2-K https://doi.org/10.1016/S0021-9673(01)82447-X https://doi.org/10.1002/ELPS.200500714
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one	129010007	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O	610.60	unknown	https://doi.org/10.1002/ELPS.200500714
Hesperidin	10621	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O	610.60	unknown	https://doi.org/10.1002/ELPS.200500714
Kaempferol 7-neohesperidoside	5483905	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	594.50	unknown	via CMAUP database
Lespedin	5486199	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O	578.50	unknown	https://doi.org/10.1007/S10600-010-9699-X
Lespedin;Lespenephryl	12305415	Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O	578.50	unknown	https://doi.org/10.1007/S10600-010-9699-X
Luteolin 7-O-glucoside	5280637	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1002/ELPS.200500714
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-8-O-glycosides
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	162847768	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O	656.50	unknown	https://doi.org/10.1021/NP0499113 https://doi.org/10.1248/BPB.26.61
> Phenylpropanoids and polyketides / Flavonoids / Furanoflavonoids and dihydrofuranoflavonoids
4-hydroxy-7-(4-hydroxyphenyl)-2,3,3-trimethyl-6,7-dihydro-2H-furo[3,2-g]chromen-5-one	85224524	Click to see CC1C(C2=C(O1)C=C3C(=C2O)C(=O)CC(O3)C4=CC=C(C=C4)O)(C)C	340.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate	25202697	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)[O-]	283.25	unknown	via CMAUP database
Acacetin	5280442	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O	284.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavans / Isoflavanols
(2S,3R)-3-(3,4-dihydroxyphenyl)-2,6,8-trihydroxy-2,3-dihydrochromen-4-one	57336522	Click to see C1=CC(=C(C=C1C2C(OC3=C(C2=O)C=C(C=C3O)O)O)O)O	304.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxy-dihydrochalcones
alpha,beta-Dihydroxanthohumol	10450920	Click to see CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC=C(C=C2)O)O)C	356.40	unknown	https://doi.org/10.1021/NP0499113 https://doi.org/10.1515/ZNC-1999-7-825 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1248/BPB.26.61
Phloretin	4788	Click to see C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O	274.27	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxychalcones
(E)-1-[(3R)-3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one	154496445	Click to see CC1(C(CC2=C(C(=C(C=C2O1)OC)C(=O)C=CC3=CC=C(C=C3)O)O)O)C	370.40	unknown	https://doi.org/10.1021/NP0499113 https://doi.org/10.1016/S0031-9422(96)00744-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1248/BPB.26.61
(E)-3-(4-hydroxyphenyl)-1-[(3R)-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]prop-2-en-1-one	163023714	Click to see CC1(C(CC2=C(O1)C=C(C(=C2O)C(=O)C=CC3=CC=C(C=C3)O)O)O)C	356.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
1-(3,5-Dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one	25203547	Click to see CC1(C(CC2=C(C(=C(C=C2O1)OC)C(=O)C=CC3=CC=C(C=C3)O)O)O)C	370.40	unknown	https://doi.org/10.1021/NP0499113 https://doi.org/10.1016/S0031-9422(96)00744-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1016/S0278-6915(99)00019-8 https://doi.org/10.1248/BPB.26.61
1-(5-Hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one	73797067	Click to see CC1(CCC2=C(C(=C(C=C2O1)OC)C(=O)C=CC3=CC=C(C=C3)O)O)C	354.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
1-(5-Hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one	25201682	Click to see CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)C=CC3=CC=C(C=C3)O)O)C	352.40	unknown	https://doi.org/10.1016/S0031-9422(96)00744-3
2',4-Dihydroxy-4',6'-dimethoxychalcone	6293081	Click to see COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=C(C=C2)O)O	300.30	unknown	https://doi.org/10.1021/NP800188B
3-(4-Hydroxyphenyl)-1-(3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-en-1-one	72816329	Click to see CC1(C(CC2=C(O1)C=C(C(=C2O)C(=O)C=CC3=CC=C(C=C3)O)O)O)C	356.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
3'-Methylflavokawin	21722044	Click to see CC1=C(C(=C(C=C1OC)OC)C(=O)C=CC2=CC=C(C=C2)O)O	314.30	unknown	https://doi.org/10.1021/NP800188B
Isodehydrocycloxanthohumol hydrate	21574256	Click to see CC1(CCC2=C(C(=C(C=C2O1)OC)C(=O)C=CC3=CC=C(C=C3)O)O)C	354.40	unknown	https://doi.org/10.1021/NP800188B https://doi.org/10.1515/ZNC-1999-7-825 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
Naringenin chalcone	5280960	Click to see C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2O)O)O)O	272.25	unknown	https://doi.org/10.1021/JF1049084
Xanthohumol B	9799506	Click to see CC1(C(CC2=C(C(=C(C=C2O1)OC)C(=O)C=CC3=CC=C(C=C3)O)O)O)C	370.40	unknown	https://doi.org/10.1021/NP0499113 https://doi.org/10.1016/S0031-9422(97)00157-X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1248/BPB.26.61 https://doi.org/10.1016/S0031-9422(00)00005-4
Xanthohumol C	10338075	Click to see CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)C=CC3=CC=C(C=C3)O)O)C	352.40	unknown	https://doi.org/10.1021/NP800188B https://doi.org/10.1016/S0031-9422(96)00744-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1016/S0278-6915(99)00019-8 https://doi.org/10.1016/S0031-9422(00)00005-4
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 3-prenylated chalcones
(2E)-1-[2,4-Dihydroxy-3-[(2S)-2,3-dihydroxy-3-methylbutyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)-2-propene-1-one	76764288	Click to see CC(C)(C(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)O)O	388.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
(E)-1-[2,4-dihydroxy-3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	92469725	Click to see CC(=C)C(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)O	370.40	unknown	https://doi.org/10.1021/NP0499113 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1248/BPB.26.61 https://doi.org/10.1016/S0031-9422(00)00005-4 https://doi.org/10.1007/S10600-009-9424-9
(E)-1-[2,4-dihydroxy-3-[(2R)-3-hydroxy-2-methoxy-3-methylbutyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	162967593	Click to see CC(C)(C(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)OC)O	402.40	unknown	https://doi.org/10.1248/BPB.26.61
(E)-1-[2,4-dihydroxy-3-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	163015583	Click to see CC(C)(C(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)O)OC	402.40	unknown	https://doi.org/10.1021/NP0499113
(E)-1-[2,4-dihydroxy-3-[(2S)-2-hydroxy-3-methylbut-3-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	637318	Click to see CC(=C)C(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)O	370.40	unknown	https://doi.org/10.1021/NP0499113 https://doi.org/10.1080/10286020701833479 https://doi.org/10.1248/BPB.26.61 https://doi.org/10.1016/S0031-9422(00)00005-4
(E)-1-[2,4-dihydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	11451530	Click to see CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)CO	370.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
(Z)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	92852038	Click to see CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C	354.40	unknown	https://doi.org/10.1016/S0031-9422(00)97849-X
1-(2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl)-3-(4-hydroxyphenyl)-2-propen-1-one	160869	Click to see CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C	354.40	unknown	https://doi.org/10.1016/J.ANTIVIRAL.2004.08.005 https://doi.org/10.1055/S-2005-864154 https://doi.org/10.1248/BPB.26.61 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1002/PTR.2286 https://doi.org/10.1016/S0278-6915(99)00019-8 https://doi.org/10.1007/S10600-009-9424-9 https://doi.org/10.1016/S0031-9422(96)00744-3 https://doi.org/10.1021/JF901244K https://doi.org/10.1016/S0031-9422(00)97849-X https://doi.org/10.1021/NP0499113 https://doi.org/10.1002/PTR.2481 https://doi.org/10.1002/IJC.21249
1-[2-Hydroxy-4,6-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	25201031	Click to see CC(=CCC1=C(C(=C(C=C1OC)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C	368.40	unknown	https://doi.org/10.1016/S0031-9422(00)97849-X https://doi.org/10.1016/S0031-9422(00)00005-4 https://doi.org/10.3109/14756366.2015.1063621
1-[2,4-Dihydroxy-3-(2-hydroxy-3-methoxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	72772566	Click to see CC(C)(C(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)O)OC	402.40	unknown	https://doi.org/10.1021/NP0499113
1-[2,4-Dihydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	20979930	Click to see CC(=C)C(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)O	370.40	unknown	https://doi.org/10.1021/NP0499113 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1248/BPB.26.61 https://doi.org/10.1016/S0031-9422(00)00005-4 https://doi.org/10.1007/S10600-009-9424-9
1-[2,4-Dihydroxy-3-(3-hydroxy-2-methoxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	85147294	Click to see CC(C)(C(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)OC)O	402.40	unknown	https://doi.org/10.1248/BPB.26.61
1-[2,4-Dihydroxy-3-(3-hydroxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	74033105	Click to see CC(C)(CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)O	372.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
1-[2,4-Dihydroxy-3-(4-hydroxy-3-methylbut-2-enyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	72966723	Click to see CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)CO	370.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
1-[2,4-Dihydroxy-6-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	25201207	Click to see CC(=CCC1=C(C(=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)CC=C(C)C)O)C	422.50	unknown	https://doi.org/10.1016/S0031-9422(96)00744-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
1-[2,6-Dihydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	25201784	Click to see CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)OC)C	354.40	unknown	https://doi.org/10.1016/S0031-9422(00)00005-4
1-[3-(3,7-Dimethylocta-2,6-dienyl)-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	25200904	Click to see CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)C(=O)C=CC2=CC=C(C=C2)O)O)C)C	408.50	unknown	https://doi.org/10.1016/S0031-9422(96)00744-3
1-[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-2,4-dihydroxy-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one	163062012	Click to see CC(C)(C(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)O)O	388.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
1-[5,7-Dihydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)chromen-8-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one	25202486	Click to see CC(=CCC1=C(C(=C2C(=C1O)C=CC(O2)(C)C)C(=O)C=CC3=CC=C(C=C3)O)O)C	406.50	unknown	https://doi.org/10.1016/S0031-9422(00)00005-4
2',4',6',4-Tetrahydroxy-3'-prenylchalcone	189267	Click to see CC(=CCC1=C(C(=C(C=C1O)O)C(=O)C=CC2=CC=C(C=C2)O)O)C	340.40	unknown	https://doi.org/10.1016/S0031-9422(96)00744-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1016/S0278-6915(99)00019-8
3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenolate	25244416	Click to see CC(=CCC1=C(C(=C(C(=C1[O-])CC=C(C)C)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C	421.50	unknown	via CMAUP database
3-hydroxy-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-2-(3-methylbut-2-en-1-yl)phenolate	25245735	Click to see CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)[O-])C	353.40	unknown	via CMAUP database
3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-(3-methylbut-2-en-1-yl)phenolate	25244549	Click to see CC(=CCC1=C(C(=C(C=C1O)O)C(=O)C=CC2=CC=C(C=C2)O)[O-])C	339.40	unknown	via CMAUP database
3'-geranyl-6'-O-methylchalconaringenin	24971180	Click to see CC(=CCCC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C)C	422.50	unknown	https://doi.org/10.1021/NP800188B
3'-Geranylchalconaringenin	10070028	Click to see CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)C(=O)C=CC2=CC=C(C=C2)O)O)C)C	408.50	unknown	https://doi.org/10.1021/NP800188B https://doi.org/10.1016/S0031-9422(96)00744-3 https://doi.org/10.1016/S0031-9422(00)00005-4 https://doi.org/10.1021/JF990101K
4-O-methylxanthohumol	23251192	Click to see CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)OC)O)C	368.40	unknown	via CMAUP database
4'-O-methylxanthohumol	10959555	Click to see CC(=CCC1=C(C(=C(C=C1OC)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C	368.40	unknown	https://doi.org/10.1016/S0031-9422(00)97849-X https://doi.org/10.1016/S0031-9422(00)00005-4
5'-Prenylxanthohumol	23250008	Click to see CC(=CCC1=C(C(=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)CC=C(C)C)O)C	422.50	unknown	https://doi.org/10.1021/NP800188B https://doi.org/10.1016/S0031-9422(96)00744-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1016/S0031-9422(00)00005-4
Desmethylxanthohumol	6443339	Click to see CC(=CCC1=C(C(=C(C=C1O)O)C(=O)C=CC2=CC=C(C=C2)O)O)C	340.40	unknown	https://doi.org/10.1016/S0031-9422(00)00005-4 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1016/J.JEP.2008.01.011 https://doi.org/10.1002/ELPS.200500714 https://doi.org/10.1016/S0278-6915(99)00019-8 https://doi.org/10.1021/JF034263Z https://doi.org/10.1016/S0031-9422(96)00744-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1390442/
Oxygenated xanthohumol	11258152	Click to see CC(C)(C(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)O)OC	402.40	unknown	https://doi.org/10.1021/NP0499113
Xanthogalenol	14309735	Click to see CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)OC)C	354.40	unknown	https://doi.org/10.1016/S0031-9422(00)00005-4 https://doi.org/10.1016/S0031-9422(02)00376-X
Xanthohumol	639665	Click to see CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C	354.40	unknown	https://doi.org/10.1016/S0278-6915(99)00019-8 https://doi.org/10.1021/JF901244K https://doi.org/10.1021/NP800188B https://doi.org/10.1016/J.JCHROMB.2006.11.017 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2254931/ https://doi.org/10.1271/BBB1961.48.2771 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1002/PTR.2286 https://doi.org/10.1021/JF990101K https://doi.org/10.1271/BBB.61.158 https://doi.org/10.1016/S0031-9422(96)00744-3 https://doi.org/10.1021/JF034263Z https://doi.org/10.1007/S10600-009-9424-9 https://doi.org/10.1016/S0031-9422(00)00005-4 https://doi.org/10.1021/NP0499113 https://doi.org/10.1002/PTR.2481 https://doi.org/10.1002/IJC.21249 https://doi.org/10.1055/S-2005-864154 https://doi.org/10.1080/10286020701833479 https://doi.org/10.1016/S0031-9422(97)00157-X https://doi.org/10.1002/J.2050-0416.1965.TB02078.X https://doi.org/10.1016/J.ANTIVIRAL.2004.08.005 https://doi.org/10.1016/S0031-9422(00)97849-X https://doi.org/10.1016/J.JSBMB.2005.04.038 https://doi.org/10.1663/0013-0001(2003)057[0118:IOSMAO]2.0.CO;2 https://doi.org/10.1248/BPB.26.61 https://doi.org/10.1021/NP900230P https://doi.org/10.1002/J.2050-0416.1965.TB02024.X https://doi.org/10.1002/ELPS.200500714 https://doi.org/10.1210/JCEM.84.6.5887 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1390442/
Xanthohumol D	10317069	Click to see CC(=C)C(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)O	370.40	unknown	https://doi.org/10.1021/NP0499113 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/ https://doi.org/10.1248/BPB.26.61 https://doi.org/10.1016/S0031-9422(00)00005-4
Xanthohumol E	25245324	Click to see CC(=CCC1=C(C(=C2C(=C1O)C=CC(O2)(C)C)C(=O)C=CC3=CC=C(C=C3)O)O)C	406.50	unknown	https://doi.org/10.1016/S0031-9422(00)00005-4
Xanthohumol H	23250007	Click to see CC(C)(CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)O	372.40	unknown	https://doi.org/10.1021/NP800188B https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / Furanochalcones
(E)-1-[(2S)-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one	162981786	Click to see CC(C)(C1CC2=C(O1)C=C(C(=C2O)C(=O)C=CC3=CC=C(C=C3)O)O)O	356.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
(E)-1-[4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one	11360266	Click to see CC(C)(C1CC2=C(O1)C=C(C(=C2O)C(=O)C=CC3=CC=C(C=C3)O)O)O	356.40	unknown	via CMAUP database
1-[4,6-Dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one	72816330	Click to see CC(C)(C1CC2=C(O1)C=C(C(=C2O)C(=O)C=CC3=CC=C(C=C3)O)O)O	356.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7418824/
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Cinnamylphenols
1-(4-Hydroxy-2,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one	69209591	Click to see COC1=CC(=CC(=C1C(=O)C=CC2=CC=C(C=C2)O)OC)O	300.30	unknown	https://doi.org/10.1016/S0031-9422(00)97849-X
4,4'-Dihydroxy-2',6'-dimethoxychalcone	11022960	Click to see COC1=CC(=CC(=C1C(=O)C=CC2=CC=C(C=C2)O)OC)O	300.30	unknown	https://doi.org/10.1016/S0031-9422(00)97849-X
> Phenylpropanoids and polyketides / Phenylpropanoic acids
2-Phenylpropanoate	5249702	Click to see CC(C1=CC=CC=C1)C(=O)[O-]	149.17	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Stilbenes
cis-Resveratrol	1548910	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O	228.24	unknown	via CMAUP database
Phenol, (Z)-	5469252	Click to see COC1=CC=CC(=C1)C=CC2=CC=C(C=C2)O	226.27	unknown	via CMAUP database
Resveratrol	445154	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O	228.24	unknown	https://doi.org/10.1021/JF050222M https://doi.org/10.1021/JF072465F
> Phenylpropanoids and polyketides / Stilbenes / Stilbene glycosides
(2S,4S,5S)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	71752015	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O	390.40	unknown	via CMAUP database
cis-Piceid	10178463	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O	390.40	unknown	https://doi.org/10.1021/JF050222M
Polydatin	5281718	Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O	390.40	unknown	https://doi.org/10.1021/JF072465F https://doi.org/10.1021/JF050222M

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Humulus lupulus

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