Hypericum perforatum

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Description

Synonyms

Common Names

Subtypes (subspecies, varieties, subvarieties, forms)

Germination/Propagation

Distribution

Links to other databases

Genome

Scientific Literature

Phytochemical Profile

Biological Material

Contributors

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Details Top

Internal ID	UUID64402166d5c67282915650
Scientific name	Hypericum perforatum
Authority	L.
First published in	Sp. Pl. : 785 (1753)

Description Top

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Synonyms Top

Scientific name	Authority	First published in
Hypericum perforatum var. albiflorum	Choisy	Prodr. [A. P. de Candolle] 1: 550. 1824
Hypericum perforatum var. alpinum	Parl.	Fl. Ital. 5: 512. 1875
Hypericum perforatum var. anomalum	Frid.	Haandb. Danske Fl. ed. 4: 700. 1887
Hypericum perforatum var. petiolatum	Peterm.	Anal. Pfl.-Schlüss. 67. 1846
Hypericum assurgens	Peterm. ex Rouy	Fl. France 3: 337. 1896 (1896)
Hypericum perforatum f. brevispathum	A.Fröhl.	Sitzungsber. Kaiserl. Akad. Wiss., Math.-Naturwiss. Cl. 120(1): 524 1911
Hypericum perforatum f. lineolatum	(Jord.) A.Fröhl.	Sitzungsber. Kaiserl. Akad. Wiss., Math.-Naturwiss. Cl. 120(1): 524 1911
Hypericum perforatum f. lucidum	A.Fröhl.	Sitzungsber. Kaiserl. Akad. Wiss., Math.-Naturwiss. Cl. 120(1): 524 1911
Hypericum perforatum var. lineolatum	(Jord.) Hayek	Repert. Spec. Nov. Regni Veg. Beih. 30(2): 533. 1925
Hypericum perforatum var. decompositum	Nyár.	Bul. Grad. Bot. Univ. Cluj 19: 85. 1939
Hypericum perforatum var. semihumifusum	Nyár.	Bul. Sti. Acad. Republ. Populare Romîne, Sect. Sti 7: 226. 1955

Common names Top

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Filter by language:

Language	Common/alternative name
English	common st. johnswort
English	perforate st john's-wort
English	st john's wort
English	st. john's wort
English	common st. john's wort
English	perforate st. johns-wort
Spanish	san juan
Spanish	hierba de san juan
Spanish	hierba de las heridas
Spanish	pericón
Spanish	perico
Spanish	sanjuanines
Spanish	hierba de la sangre
Spanish	amnica
Spanish	cientoenrama
Spanish	corazón de ciervo
Spanish	corazoncillo
Spanish	corión
Spanish	espantadiablos
Spanish	hierba de las machacauras
Spanish	hierba del agua
Spanish	hierba militar
Spanish	hipérico
Spanish	hipérico común
Spanish	hipérico horadado
Spanish	hipericón
Spanish	hipericón oficinal
Spanish	perforada
Spanish	perforata
Spanish	pericó
Spanish	pericón amarillo
Spanish	pericón común
Spanish	pericón silvestre
Spanish	pericote
Spanish	periquito
Spanish	san juanes
Spanish	sanjuanera
Spanish	sanjuanes
Spanish	té borde
Spanish	trescalar
Spanish	tresflorina
Spanish	yerba de san juan
Spanish	yerbuca de san juan
Spanish	corazon de ciervo
Spanish	hiperico comun
Spanish	hiperico común
Spanish	hipericon
Spanish	hipericon llamado corazoncillo
Spanish	hipericón llamado corazoncillo
Spanish	hipericon llamado yerba de san juan
Spanish	hipericón llamado yerba de san juan
Spanish	hipericon oficinal
Spanish	pericon comun
Spanish	pericon común
Spanish	st john's wort
Spanish	te borde
Arabic	st john's wort
Arabic	عرن مثقوب
Arabic	نبتة سانت جونز
Arabic	حشيشة الكبد
Arabic	منسية
Arabic	حشيشة القلب
Arabic	داذي رومي
Arabic	عشبة شياطين
Arabic	عشبة لسع
Arabic	هيوفاريقون
Azerbaijani	adi dazı
azb	ساری کانتارون
ba	Һары мәтрүшкә
Belarusian	Святаяннік прадзіраўлены
Bulgarian	Жълт кантарион
Bulgarian	лечебен кантарион
Bulgarian	порезниче
Bulgarian	жълт кантарион
Bosnian	kantarion
Catalan	pericó
Catalan	corassonillo
Catalan	diablot
Catalan	herba de sant joan
Catalan	pericó.
Czech	třezalka tečkovaná
Welsh	eurinllys trydwll
Welsh	dail y fendigiad
Welsh	llysiau ioan
Danish	prikbladet pericon
Danish	prikbladet perikon
Danish	prikbladet perikum
German	johannisblut
German	blutkraut
German	echt-johanniskraut
German	echtes johanniskraut
German	echtes tüpfel-hartheu
German	echtes tüpfel-johanniskraut
German	elfenblut
German	gemeines johanniskraut
German	jarsin
German	johanniskrautöl
German	konradskraut
German	teufelsflucht
German	tüpfel-hartheu
German	tüpfel-johanniskraut
German	tüpfelhartheu
German	walpurgiskraut
German	wundskraut
German	tüpfeljohanniskraut
Greek	Βάλσαμο
Greek	βαλσαμόχορτο
Greek	σπαθόχορτο
Greek	βάλσαμο
Esperanto	hiperiko punktata
Esperanto	hiperiko punktita
Esperanto	trapunkta hiperiko
Estonian	liht-naistepuna
Basque	santio belar
Persian	گل راعی
Persian	چای کوهی
Persian	علف چای
Persian	هزارچشم
Persian	هوفاریقون
Finnish	mäkikuisma
French	millepertuis commun
French	millepertuis officinal
French	millepertuis perfore
French	millepertuis perforé
frp	lo tê sârvâjo
frp	tê sârvâjo
frr	echt johanniskrüüs
fy	sint-janskrûd
Irish	beathnua
Irish	lus na maighdine muire
gd	achlaisean chaluim chille
gd	allas chaluim chille
gd	eala bhuidhe
gd	lus-chaluim-chille
Galician	herba de san xoán
Galician	abeloura
Hebrew	פרע מחורר
Croatian	gospina trava
Croatian	kantarion
Upper Sorbian	dźěrkate janske zelo
Upper Sorbian	dźěrkaty křižomnik
Upper Sorbian	dźěrkawe łopješko
Upper Sorbian	janske zelo
Upper Sorbian	konjaca krej
Upper Sorbian	lubozne zelo
Upper Sorbian	Škerjedźiwe zelo
Upper Sorbian	swjatojanske zelo
Upper Sorbian	twjerda trawa
Hungarian	közönséges orbáncfű
Hungarian	lyukaslevelű orbáncfű
Armenian	Սրոհունդ
Armenian	սրոհունդ սովորական
Icelandic	jóhannesarjurt
Italian	iperico
Italian	iperico perforato
Italian	pilatro
Japanese	セイヨウオトギリソウ
Japanese	セント・ジョーンズ・ワート
Japanese	セント・ジョンズ・ワート
Japanese	セントジョーンズウォート
Japanese	セントジョーンズワート
Japanese	セントジョンズワート
Japanese	西洋弟切草
Georgian	კრაზანა
Kazakh	Кәдімгі шәйқурай
Korean	서양고추나물
Cornish	losow s. jowan
lb	haartnol
li	dónderkroed
li	sint-janskruid
Lithuanian	paprastoji jonažolė
Latvian	asinszāle
Latvian	divšķautņu asinszāle
Macedonian	Жолт кантарион
Macedonian	Кантарион
Malayalam	ഹൈപെരികം പെർഫൊറാറ്റം
Norwegian Bokmål	johannes urt
Norwegian Bokmål	johannesurt
Norwegian Bokmål	prikkperikum
Dutch	st. janskruid
Dutch	sint janskruid
Dutch	sint-janskruid
Dutch	sintjanskruid
Dutch	st janskruid
nv	biłhaazhchin (łitsooígíí)
os	Сауджыны тамако
Polish	dziurawiec pospolity
Polish	dziurawiec zwyczajny
Portuguese	erva de são joão
Portuguese	erva-de-são-joão
Portuguese	hipericão
Portuguese	hipérico
Portuguese	hipericao
Romanian	sunătoare
Russian	Заячья кровь
Russian	Зверобой дырявый
Russian	Зверобой жёлтый
Russian	Зверобой обыкновенный
Russian	Зверобой продырявленный
Russian	Зверобойник
Russian	Красная травица
Russian	Кровавец
Russian	Кровца
Russian	Хворобой
rup	tindilinâ
Samogitian	Švėnta juonė žuolie
Serbo-Croatian	bogorodična trava
Serbo-Croatian	gospino zelje
Serbo-Croatian	kantarijon
Serbo-Croatian	kantarion
Serbo-Croatian	sentjanzevka
Serbo-Croatian	sentjanzovka
Slovak	̝ľubovník bodkovaný
Slovak	ľubovník bodkovaný
Slovenian	grilavec
Slovenian	janževka
Slovenian	krvočistnik
Slovenian	rumena naniknica
Slovenian	Šentjanževka
Serbian	kantarion
Serbian	кантарион
Serbian	Кантарион
Swedish	Äkta johannesört
Swedish	johannesört
Swedish	mansblod
Swedish	movina
tg	Чойкаҳак
Turkish	binbirdelik otu
Turkish	sarı kantaron
Turkish	kantaron
Ukrainian	Звіробій звичайний
Ukrainian	Звіробій продірявлений
vro	naistõpunahain
vro	viinalill
Walloon	meytrô
Chinese	夜关门
Chinese	贯叶连翘
Chinese	小叶金丝桃
Chinese	小金丝桃
Chinese	st john's wort
Chinese	千层楼
Chinese	貫葉連翹
Chinese	贯叶连翘（贯叶金丝桃）
Chinese	贯叶金丝桃
Chinese	铁帚把
Chinese	圣约翰麦芽汁
Chinese	聖約翰麥芽汁

Subspecies (abbr. subsp./ssp.) Top

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Name	Authority	First published in
Hypericum perforatum subsp. chinense	N.Robson	Bull. Nat. Hist. Mus. (London), Bot. 32: 101 (2002)
Hypericum perforatum subsp. perforatum	L.	Unknown
Hypericum perforatum subsp. songaricum	(Ledeb. ex Rchb.) N.Robson	Bull. Nat. Hist. Mus. (London), Bot. 32: 95 (2002)
Hypericum perforatum subsp. veronense	(Schrank) H.Lindb.	Öfvers. Finska Vetensk.-Soc. Förh. 48: 73 (1906)

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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Maintain seeds at a constant 10°C.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- Macaronesia
  - Azores
  - Canary Islands
  - Madeira
- Northeast Tropical Africa
  - Sudan
- Northern Africa
  - Algeria
  - Morocco
  - Tunisia
- Southern Africa
  - Cape Provinces
  - Lesotho
- Western Indian Ocean
  - Réunion

Asia-temperate click to expand
- Arabian Peninsula
  - Saudi Arabia
- Caucasus
  - North Caucasus
  - Transcaucasus
- China
  - China North-central
  - China South-central
  - China Southeast
  - Qinghai
  - Xinjiang
- Eastern Asia
  - Japan
  - Korea
- Middle Asia
  - Kazakhstan
  - Kirgizstan
  - Tadzhikistan
  - Turkmenistan
  - Uzbekistan
- Russian Far East
  - Primorye
- Siberia
  - Altay
  - Buryatiya
  - Irkutsk
  - Krasnoyarsk
  - West Siberia
- Western Asia
  - Afghanistan
  - Cyprus
  - East Aegean Islands
  - Iran
  - Iraq
  - Lebanon-Syria
  - Palestine
  - Turkey

Asia-tropical click to expand
- Indian Subcontinent
  - Pakistan
  - West Himalaya

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

Europe click to expand
- Eastern Europe
  - Baltic States
  - Belarus
  - Central European Russia
  - East European Russia
  - Krym
  - 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
  - Kriti
  - Romania
  - Sicilia
  - Turkey-in-Europe
  - Yugoslavia
- Southwestern Europe
  - Baleares
  - 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
  - Iowa
  - Kansas
  - Minnesota
  - Missouri
  - Nebraska
  - North Dakota
  - Oklahoma
  - South Dakota
  - 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.
  - Colorado
  - Idaho
  - Montana
  - Oregon
  - Washington
  - Wyoming
- South-central U.S.A.
  - New Mexico
  - Texas
- Southeastern U.S.A.
  - Alabama
  - Arkansas
  - Delaware
  - District Of Columbia
  - Kentucky
  - Maryland
  - North Carolina
  - South Carolina
  - Tennessee
  - Virginia
- Southwestern U.S.A.
  - California
  - Nevada
- Western Canada
  - British Columbia
  - Manitoba

Pacific click to expand
- North-central Pacific
  - Hawaii

Southern America click to expand
- Brazil
  - Brazil Southeast
- Caribbean
  - Cuba
  - Haiti
- Southern South America
  - Argentina Northeast
  - Argentina South
  - Chile South
  - Juan Fernández Islands
  - Uruguay

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000728093
UNII	XK4IUX8MNB
Flora of Alabama	1573
Canadensys	6163
USDA Plants	HYPE
Tropicos	7800012
INPN	103316
Flora of Italy	1252
KEW	urn:lsid:ipni.org:names:433719-1
The Plant List	kew-2858676
Missouri Botanical Garden	279201
Open Tree Of Life	618681
NCBI Taxonomy	65561
NBN Atlas	NBNSYS0000002957
Nature Serve	2.153959
IPNI	433719-1
iNaturalist	56077
GBIF	3189486
Freebase	/m/01925l
WisFlora	3908
FEIS	plants/forb/hypper
EPPO	HYPPE
EOL	584888
Elurikkus	5210
Calflora (Californian flora)	4312
US Library of Congress	sh88022845
USDA GRIN	19600
Wikipedia	Hypericum_perforatum
CMAUP	NPO4391

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
GCA_041475425.1	ASM4147542v1	Chromosome	Chinese Academy of Sciences Centre for Excellence in Molecular Plant Sciences	2024-08-29	211.7x	1.44 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

Phenolic compound profiling and antioxidant potential of different types of Schisandra henryi in vitro cultures

Jafernik K, Kubica P, Sharafan M, Kruk A, Malinowska MA, Granica S, Szopa A

Appl Microbiol Biotechnol

07-May-2024

PMCID:	PMC11076313
doi:	10.1007/s00253-024-13159-6
PMID:	38713216

DDID: a comprehensive resource for visualization and analysis of diet–drug interactions

Hong Y, Xu H, Liu Y, Zhu S, Tian C, Chen G, Zhu F, Tao L

Brief Bioinform

06-May-2024

PMCID:	PMC11074590
doi:	10.1093/bib/bbae212
PMID:	38711369

Exploring the Role of Apigenin in Neuroinflammation: Insights and Implications

Charrière K, Schneider V, Perrignon-Sommet M, Lizard G, Benani A, Jacquin-Piques A, Vejux A

Int J Mol Sci

06-May-2024

PMCID:	PMC11084463
doi:	10.3390/ijms25095041
PMID:	38732259

Caffeoylquinic acid profiling: comparative analysis in yerba mate, Indian camphorweed, and stevia extracts with emphasis on the influence of brewing conditions and cold storage in yerba mate infusion

Khaksar G, Chaichana N, Assatarakul K, Sirikantaramas S

PeerJ

06-May-2024

PMCID:	PMC11080990
doi:	10.7717/peerj.17250
PMID:	38726376

St. John's wort extract with a high hyperforin content does not induce P‐glycoprotein activity at the human blood–brain barrier

El Biali M, Wölfl‐Duchek M, Jackwerth M, Mairinger S, Weber M, Bamminger K, Poschner S, Rausch I, Schindler N, Lozano IH, Jäger W, Nics L, Tournier N, Hacker M, Zeitlinger M, Bauer M, Langer O

Clin Transl Sci

03-May-2024

PMCID:	PMC11067874
doi:	10.1111/cts.13804
PMID:	38700454

Natural products for managing metabolic syndrome: a scoping review

Abdulghani MF, Al-Fayyadh S

Front Pharmacol

30-Apr-2024

PMCID:	PMC11091304
doi:	10.3389/fphar.2024.1366946
PMID:	38746011

St. John's wort extract Ze 117 alters the membrane fluidity of C6 glioma cells by influencing cellular cholesterol metabolism

Bremer S, Weitkemper E, Häberlein H, Franken S

Sci Rep

30-Apr-2024

PMCID:	PMC11059309
doi:	10.1038/s41598-024-60562-0
PMID:	38684848

Integrative Nursing Interventions for Cancer-Related Symptoms in Oncology Inpatients: Results of a Descriptive Pilot Study

Raiber L, Raff C, Thiele J, Kramer K

Integr Cancer Ther

29-Apr-2024

PMCID:	PMC11057344
doi:	10.1177/15347354241239930
PMID:	38680047

Insect floral visitors of thermo-Mediterranean shrubland maquis (Ajaccio, Corsica, France)

Maestracci PY, Plume L, Gibernau M

Biodivers Data J

25-Apr-2024

PMCID:	PMC11079593
doi:	10.3897/BDJ.12.e118614
PMID:	38726024

Plant cultural indicators of forest resources from the Himalayan high mountains: implications for improving agricultural resilience, subsistence, and forest restoration

Haq SM, Khoja AA, Waheed M, Pieroni A, Siddiqui MH, Bussmann RW

J Ethnobiol Ethnomed

24-Apr-2024

PMCID:	PMC11040985
doi:	10.1186/s13002-024-00685-w
PMID:	38659048

Premenstrual syndrome: new insights into etiology and review of treatment methods

Modzelewski S, Oracz A, Żukow X, Iłendo K, Śledzikowka Z, Waszkiewicz N

Front Psychiatry

23-Apr-2024

PMCID:	PMC11075635
doi:	10.3389/fpsyt.2024.1363875
PMID:	38716118

Fluorescence-Guided Laparoscopy after Oral Hypericin Administration for Staging of Locally Advanced Gastric Cancer—A Pilot Study

Yurttas C, Horvath P, Fischer I, Wagner S, Thiel K, Ladurner R, Königsrainer I, Königsrainer A, Schwab M, Beckert S, Löffler MW

J Clin Med

21-Apr-2024

PMCID:	PMC11050884
doi:	10.3390/jcm13082422
PMID:	38673695

The Possible Synergistic Pharmacological Effect of an Oral Berberine (BBR) and Curcumin (CUR) Complementary Therapy Alleviates Symptoms of Irritable Bowel Syndrome (IBS): Results from a Real-Life, Routine Clinical Practice Settings-Based Study

Wade U, Pascual-Figal DA, Rabbani F, Ernst M, Albert A, Janssens I, Dierckxsens Y, Iqtadar S, Khokhar NA, Kanwal A, Khan A

Nutrients

18-Apr-2024

PMCID:	PMC11053504
doi:	10.3390/nu16081204
PMID:	38674895

Four New Polyprenylated Acylphloroglucinols from Hypericum perforatum L.

Wang X, Liu W, Chen S, Gao Y, Tian J, Gao J

Molecules

12-Apr-2024

PMCID:	PMC11052217
doi:	10.3390/molecules29081756
PMID:	38675576

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

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 / Yohimbine alkaloids
methyl (1S,15R,17S,18S,19R,20R)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate	6604180	Click to see COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC	608.70	unknown	via CMAUP database
Reserpine	5770	Click to see COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC	608.70	unknown	via CMAUP database
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
(R)-Skyrin 2-xyloside	73804165	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4C(C(C(CO4)O)O)O)C5=C6C(=C(C=C5O)O)C(=O)C7=C(C6=O)C=C(C=C7O)C	670.60	unknown	https://doi.org/10.1016/S0031-9422(00)00305-8
(S)-Skyrin 2-glucoside	85149902	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5=C6C(=C(C=C5O)O)C(=O)C7=C(C6=O)C=C(C=C7O)C	700.60	unknown	https://doi.org/10.1016/S0031-9422(00)00305-8
2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione	101718008	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4C(C(C(O4)CO)O)O)C5=C6C(=C(C=C5O)O)C(=O)C7=C(C6=O)C=C(C=C7O)C	670.60	unknown	https://doi.org/10.1016/S0031-9422(00)00305-8
2-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione	73880672	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4C(C(C(O4)CO)O)O)C5=C6C(=C(C=C5O)O)C(=O)C7=C(C6=O)C=C(C=C7O)C	670.60	unknown	https://doi.org/10.1016/S0031-9422(00)00305-8
4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyanthracene-9,10-dione	21579631	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4C(C(C(CO4)O)O)O)C5=C6C(=C(C=C5O)O)C(=O)C7=C(C6=O)C=C(C=C7O)C	670.60	unknown	https://doi.org/10.1016/S0031-9422(00)00305-8
Emodin	3220	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O	270.24	unknown	via CMAUP database
S-(+)-Skyrin-6-O-alpha-arabinofuranoside	637109	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4C(C(C(O4)CO)O)O)C5=C6C(=C(C=C5O)O)C(=O)C7=C(C6=O)C=C(C=C7O)C	670.60	unknown	https://doi.org/10.1016/S0031-9422(00)00305-8
Skyrin	73071	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O)O	538.50	unknown	via CMAUP database
Skyrin Glucoside	10462387	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5=C6C(=C(C=C5O)O)C(=O)C7=C(C6=O)C=C(C=C7O)C	700.60	unknown	https://doi.org/10.1016/S0031-9422(00)00305-8
> Benzenoids / Benzene and substituted derivatives
Phenethyl isobutyrate	7655	Click to see CC(C)C(=O)OCCC1=CC=CC=C1	192.25	unknown	https://doi.org/10.1002/CBDV.200900091
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
2-Methylbutyl benzoate	103653	Click to see CCC(C)COC(=O)C1=CC=CC=C1	192.25	unknown	https://doi.org/10.1002/CBDV.200900091
Benzyl Benzoate	2345	Click to see C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2	212.24	unknown	via CMAUP database
cis-3-Hexenyl benzoate	5367706	Click to see CCC=CCCOC(=O)C1=CC=CC=C1	204.26	unknown	https://doi.org/10.1080/14786411003792165
Hex-3-enyl benzoate	5352601	Click to see CCC=CCCOC(=O)C1=CC=CC=C1	204.26	unknown	via CMAUP database
Isobutyl benzoate	61048	Click to see CC(C)COC(=O)C1=CC=CC=C1	178.23	unknown	https://doi.org/10.1002/CBDV.200900091
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoate	54675866	Click to see C1=CC(=C(C=C1C(=O)O)O)[O-]	153.11	unknown	via CMAUP database
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	https://doi.org/10.1055/S-2002-20053
> Benzenoids / Fluorenes
8-hydroxy-7,9-dimethoxy-11,11-dimethyl-10,10a-dihydro-4bH-benzo[b]fluoren-5-one	73047888	Click to see CC1(C2CC3=C(C(=C(C=C3C(=O)C2C4=CC=CC=C41)OC)O)OC)C	338.40	unknown	https://doi.org/10.1016/S0014-827X(01)01068-0 https://doi.org/10.1016/S0305-1978(00)00094-6 https://doi.org/10.1663/0013-0001(2002)056[0041:VIHFWP]2.0.CO;2 https://doi.org/10.1080/13880200490505663 https://doi.org/10.1016/S0981-9428(01)01326-2 https://doi.org/10.1002/PCA.601 https://doi.org/10.1007/BF00812322 https://doi.org/10.1016/S1251-8069(99)80024-3 https://doi.org/10.1093/AJHP/59.6.545 https://doi.org/10.1081/JLC-100101655 https://doi.org/10.1093/JAOAC/83.4.944 https://doi.org/10.1002/JPS.10057 https://doi.org/10.1016/S0378-4347(01)00404-2 https://doi.org/10.1177/089198879400701S13 https://doi.org/10.1016/S0031-9422(02)00074-2 https://doi.org/10.1177/089198879400700118 https://doi.org/10.1007/BF02575285 https://doi.org/10.1016/S0021-9673(99)00071-0 https://doi.org/10.1300/J044V09N02_14 https://doi.org/10.1007/BF00629849 https://doi.org/10.1016/S0378-4347(00)00383-2 https://doi.org/10.1055/S-2003-45150 https://doi.org/10.1055/S-0031-1300225 https://doi.org/10.1055/S-2006-961623 https://doi.org/10.1081/JLC-100101449 https://doi.org/10.1016/S0024-3205(03)00314-X https://doi.org/10.1016/0031-9422(91)83708-S https://doi.org/10.2298/JSC0206457S https://doi.org/10.1111/J.1600-0781.1999.TB00046.X https://doi.org/10.1016/S1086-5802(16)31280-3 https://doi.org/10.1016/S0378-4347(97)00188-6 https://doi.org/10.1055/S-2006-961483 https://doi.org/10.1016/S0021-9673(98)00697-9 https://doi.org/10.1076/PHBI.36.5.365.4651 https://doi.org/10.1002/(SICI)1099-1573(199708)11:5<395::AID-PTR114>3.0.CO;2-Q https://doi.org/10.1016/0021-9673(95)01222-2 https://doi.org/10.1055/S-2006-957796 https://doi.org/10.1016/S0031-9422(99)00496-3 https://doi.org/10.1002/1099-1565(200011/12)11:6<387::AID-PCA541>3.0.CO;2-G https://doi.org/10.1002/PCA.638 https://doi.org/10.1080/14786410410001715596 https://doi.org/10.1055/S-2006-957437 https://doi.org/10.1055/S-2007-979343 https://doi.org/10.4141/CJPS95-155 https://doi.org/10.1055/S-2007-979340 https://doi.org/10.1016/S0731-7085(01)00548-9 https://doi.org/10.1055/S-2002-20053 https://doi.org/10.1016/S0168-9452(03)00210-3 https://doi.org/10.1079/IVP2001253 https://doi.org/10.1093/JAOAC/85.6.1360 https://doi.org/10.1055/S-2007-979339 https://doi.org/10.1055/S-2000-9779 https://doi.org/10.1055/S-2006-961564 https://doi.org/10.1016/J.FITOTE.2006.01.011 https://doi.org/10.1002/PCA.720 https://doi.org/10.1016/S0006-2952(01)00759-6 https://doi.org/10.1139/B90-148 https://doi.org/10.1002/PTR.1369 https://doi.org/10.1016/S0021-9673(01)87884-5 https://doi.org/10.1016/S0378-5173(00)00660-8 https://doi.org/10.1139/B01-103 https://doi.org/10.1021/AC990598X https://doi.org/10.1016/S0981-9428(00)00754-3 https://doi.org/10.1055/S-2006-959913 https://doi.org/10.1016/S0731-7085(01)00449-6 https://doi.org/10.1055/S-2001-12003 https://doi.org/10.1055/S-2003-45114 https://doi.org/10.1016/J.LFS.2003.07.027 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9690345/
> Benzenoids / Perylenequinones
7,11,13,16,18,22-hexahydroxy-5-(hydroxymethyl)-24-methylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16,18,21(26),22,24-tridecaene-9,20-dione	5490324	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C4=C3C2=C5C6=C(C(=CC(=C6)CO)O)C(=O)C7=C(C=C(C4=C57)O)O)O)O	522.50	unknown	https://doi.org/10.1016/S0021-9673(02)01808-3 https://doi.org/10.1021/AC990598X https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026 https://doi.org/10.1016/S0305-1978(00)00032-6
7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16,18,21(26),22,24-tridecaene-9,20-dione	5489488	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C4=C3C2=C5C6=C(C(=CC(=C6)C)O)C(=O)C7=C(C=C(C4=C57)O)O)O)O	506.50	unknown	https://doi.org/10.1021/AC990598X https://doi.org/10.1016/S0021-9673(02)01808-3 https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026
> Benzenoids / Phenanthrenes and derivatives / Phenanthrols
Protohypericin	164660	Click to see CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C(=C5C6=CC(=CC(=O)C6=C(C7=C(C=C(C4=C57)O)O)O)C)C2=C1)O)O)O	506.50	unknown	https://doi.org/10.1002/PCA.720 https://doi.org/10.1021/AC990598X https://doi.org/10.1002/1099-1565(200011/12)11:6<387::AID-PCA541>3.0.CO;2-G https://doi.org/10.1002/PCA.601 https://doi.org/10.1055/S-2001-12003 https://doi.org/10.1016/S0168-9452(03)00210-3 https://doi.org/10.1016/S0378-4347(97)00188-6 https://doi.org/10.1016/S0731-7085(01)00548-9 https://doi.org/10.1007/BF00812322
> Benzenoids / Phenol ethers / Anisoles
Estragole	8815	Click to see COC1=CC=C(C=C1)CC=C	148.20	unknown	https://doi.org/10.1080/14786411003792165
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
Phenol	996	Click to see C1=CC=C(C=C1)O	94.11	unknown	https://doi.org/10.1055/S-2007-969352
> Benzenoids / Phenols / Benzenediols / Catechols
Catechol	289	Click to see C1=CC=C(C(=C1)O)O	110.11	unknown	https://doi.org/10.1055/S-2007-969352
> Benzenoids / Phenols / Benzenetriols and derivatives / Phloroglucinols and derivatives
Phloroglucinol	359	Click to see C1=C(C=C(C=C1O)O)O	126.11	unknown	https://doi.org/10.1055/S-2007-969352
> Benzenoids / Pyrenes / Benzopyrenes
5,11,18,24-tetrahydroxy-13,16-dimethyl-9,20-dioxooctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-7,22-diolate	25202775	Click to see CC1=CC(=C2C3=C4C5=C(C(=CC(=C5C2=O)[O-])O)C6=C7C4=C8C(=C13)C(=CC(=C8C(=O)C7=C(C=C6O)[O-])O)C)O	502.40	unknown	via CMAUP database
5,7,11,16,18,22-hexahydroxy-13,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,7,10,12,14(28),15(27),16,18,21,23-tridecaene-9,20-dione	15680808	Click to see CC1=CC(=C2C3=C4C5=C(C(=CC(=C5C2=O)O)O)C6=C7C4=C8C(=C13)C(=CC(=C8C(=O)C7=C(C=C6C)O)O)O)O	504.40	unknown	via CMAUP database
5,7,11,18,22,24-hexahydroxy-13-(hydroxymethyl)-16-methyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione	5281751	Click to see CC1=CC(=C2C3=C4C5=C(C(=CC(=C5C2=O)O)O)C6=C7C4=C8C(=C13)C(=CC(=C8C(=O)C7=C(C=C6O)O)O)CO)O	520.40	unknown	https://doi.org/10.1007/BF00812322 https://doi.org/10.2298/JSC0206457S https://doi.org/10.1021/AC990598X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2633243/
5,7,11,18,22,24-hexahydroxy-13,16-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione	5281051	Click to see CC1=CC(=C2C3=C4C5=C(C(=CC(=C5C2=O)O)O)C6=C7C4=C8C(=C13)C(=CC(=C8C(=O)C7=C(C=C6O)O)O)C)O	504.40	unknown	via CMAUP database
Hypericin	3663	Click to see CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O	504.40	unknown	https://doi.org/10.1016/S0014-827X(01)01068-0 https://doi.org/10.1016/S0305-1978(00)00094-6 https://doi.org/10.1663/0013-0001(2002)056[0041:VIHFWP]2.0.CO;2 https://doi.org/10.1080/13880200490505663 https://doi.org/10.1016/S0981-9428(01)01326-2 https://doi.org/10.1016/S0021-9673(00)00555-0 https://doi.org/10.1002/PCA.601 https://doi.org/10.1007/BF00812322 https://doi.org/10.1016/S1251-8069(99)80024-3 https://doi.org/10.1093/AJHP/59.6.545 https://doi.org/10.1055/S-2006-960798 https://doi.org/10.1081/JLC-100101655 https://doi.org/10.1093/JAOAC/83.4.944 https://doi.org/10.1002/JPS.10057 https://doi.org/10.1016/S0378-4347(01)00404-2 https://doi.org/10.1177/089198879400701S13 https://doi.org/10.1016/S0031-9422(02)00074-2 https://doi.org/10.1177/089198879400700118 https://doi.org/10.1007/BF02575285 https://doi.org/10.1016/S0021-9673(99)00071-0 https://doi.org/10.1300/J044V09N02_14 https://doi.org/10.1016/S0378-4347(00)00383-2 https://doi.org/10.1055/S-2003-45150 https://doi.org/10.1055/S-0031-1300225 https://doi.org/10.1055/S-2006-961623 https://doi.org/10.1081/JLC-100101449 https://doi.org/10.1016/S0024-3205(03)00314-X https://doi.org/10.1016/0031-9422(91)83708-S https://doi.org/10.2298/JSC0206457S https://doi.org/10.1111/J.1600-0781.1999.TB00046.X https://doi.org/10.1016/S1086-5802(16)31280-3 https://doi.org/10.1016/S0378-4347(97)00188-6 https://doi.org/10.1055/S-2006-961483 https://doi.org/10.1016/S0021-9673(98)00697-9 https://doi.org/10.1076/PHBI.36.5.365.4651 https://doi.org/10.1002/(SICI)1099-1573(199708)11:5<395::AID-PTR114>3.0.CO;2-Q https://doi.org/10.1016/0021-9673(95)01222-2 https://doi.org/10.1055/S-2006-957796 https://doi.org/10.1016/S0031-9422(99)00496-3 https://doi.org/10.1002/1099-1565(200011/12)11:6<387::AID-PCA541>3.0.CO;2-G https://doi.org/10.1002/PCA.638 https://doi.org/10.1080/14786410410001715596 https://doi.org/10.1055/S-2006-957437 https://doi.org/10.1055/S-2007-979343 https://doi.org/10.4141/CJPS95-155 https://doi.org/10.1055/S-2007-979340 https://doi.org/10.1016/S0731-7085(01)00548-9 https://doi.org/10.1055/S-2002-20053 https://doi.org/10.1016/S0168-9452(03)00210-3 https://doi.org/10.1079/IVP2001253 https://doi.org/10.1093/JAOAC/85.6.1360 https://doi.org/10.1055/S-2007-979339 https://doi.org/10.1055/S-2000-9779 https://doi.org/10.1055/S-2006-961564 https://doi.org/10.1016/J.FITOTE.2006.01.011 https://doi.org/10.1002/PCA.720 https://doi.org/10.1139/B90-148 https://doi.org/10.1016/S0021-9673(01)87884-5 https://doi.org/10.1016/S0378-5173(00)00660-8 https://doi.org/10.1055/S-2006-959913 https://doi.org/10.1016/S0981-9428(00)00754-3 https://doi.org/10.1021/AC990598X https://doi.org/10.1139/B01-103 https://doi.org/10.1016/S0731-7085(01)00449-6 https://doi.org/10.1055/S-2001-12003 https://doi.org/10.1055/S-2003-45114 https://doi.org/10.1016/J.LFS.2003.07.027 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9690345/ https://doi.org/10.1002/(SICI)1097-0231(20000130)14:2<95::AID-RCM843>3.0.CO;2-6
Pseudohypericin	4978	Click to see CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)CO)O)O)O	520.40	unknown	https://doi.org/10.1055/S-2006-957796 https://doi.org/10.1055/S-2001-12003 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9690345/ https://doi.org/10.1177/089198879400701S13 https://doi.org/10.1002/PCA.638 https://doi.org/10.1093/JAOAC/85.6.1360 https://doi.org/10.1002/PCA.601 https://doi.org/10.1007/BF00812322 https://doi.org/10.1055/S-2006-959913 https://doi.org/10.1139/B01-103 https://doi.org/10.1016/S0014-827X(01)01068-0 https://doi.org/10.1055/S-2002-20053 https://doi.org/10.1055/S-2006-957437 https://doi.org/10.1081/JLC-100101449 https://doi.org/10.1002/1099-1565(200011/12)11:6<387::AID-PCA541>3.0.CO;2-G https://doi.org/10.1016/S1251-8069(99)80024-3 https://doi.org/10.1007/BF02575285 https://doi.org/10.1021/AC990598X https://doi.org/10.1002/PCA.720 https://doi.org/10.1055/S-2006-961564 https://doi.org/10.1055/S-2007-979340 https://doi.org/10.1016/S0378-4347(01)00404-2 https://doi.org/10.1016/S0021-9673(00)00555-0 https://doi.org/10.1177/089198879400700118 https://doi.org/10.1016/S0378-4347(97)00188-6 https://doi.org/10.1016/S0305-1978(00)00094-6 https://doi.org/10.1016/S0981-9428(00)00754-3 https://doi.org/10.1663/0013-0001(2002)056[0041:VIHFWP]2.0.CO;2 https://doi.org/10.1055/S-2003-45150 https://doi.org/10.1080/13880200490505663 https://doi.org/10.1055/S-2007-979339 https://doi.org/10.1016/S0378-4347(00)00383-2 https://doi.org/10.1016/S0731-7085(01)00548-9 https://doi.org/10.1093/JAOAC/83.4.944 https://doi.org/10.2298/JSC0206457S https://doi.org/10.1002/JPS.10057 https://doi.org/10.1081/JLC-100101655 https://doi.org/10.1002/(SICI)1097-0231(20000130)14:2<95::AID-RCM843>3.0.CO;2-6 https://doi.org/10.1016/S0021-9673(98)00697-9 https://doi.org/10.1055/S-0031-1300225 https://doi.org/10.1016/J.FITOTE.2006.01.011 https://doi.org/10.1055/S-2000-9779 https://doi.org/10.1016/S0031-9422(99)00496-3 https://doi.org/10.1055/S-2003-45114 https://doi.org/10.1016/S0731-7085(01)00449-6 https://doi.org/10.1016/S0168-9452(03)00210-3
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Docosane	12405	Click to see CCCCCCCCCCCCCCCCCCCCCC	310.60	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Dotriacontane	11008	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	450.90	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Heneicosane	12403	Click to see CCCCCCCCCCCCCCCCCCCCC	296.60	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Hentriacontane	12410	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	436.80	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Heptacosane	11636	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCC	380.70	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Hexacosane	12407	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC	366.70	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Nonacosane	12409	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	408.80	unknown	https://doi.org/10.1016/S0031-9422(00)80110-7 https://doi.org/10.1016/S0305-1978(02)00076-5
Nonadecane	12401	Click to see CCCCCCCCCCCCCCCCCCC	268.50	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Nonane	8141	Click to see CCCCCCCCC	128.25	unknown	via CMAUP database
Octacosane	12408	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCC	394.80	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Octane	356	Click to see CCCCCCCC	114.23	unknown	via CMAUP database
Pentacosane	12406	Click to see CCCCCCCCCCCCCCCCCCCCCCCCC	352.70	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Tetracosane	12592	Click to see CCCCCCCCCCCCCCCCCCCCCCCC	338.70	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Triacontane	12535	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	422.80	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Tricosane	12534	Click to see CCCCCCCCCCCCCCCCCCCCCCC	324.60	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Tridecane	12388	Click to see CCCCCCCCCCCCC	184.36	unknown	via CMAUP database
Tritriacontane	12411	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	464.90	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Undecane	14257	Click to see CCCCCCCCCCC	156.31	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes
2-Methyldecane	23415	Click to see CCCCCCCCC(C)C	156.31	unknown	https://doi.org/10.1080/14786411003792165
2-Methyldodecane	15270	Click to see CCCCCCCCCCC(C)C	184.36	unknown	https://doi.org/10.1080/14786411003792165
2-Methyloctane	18591	Click to see CCCCCCC(C)C	128.25	unknown	https://doi.org/10.1080/14786411003792165
3-Methylnonane	22202	Click to see CCCCCCC(C)CC	142.28	unknown	https://doi.org/10.1080/14786411003792165
> Hydrocarbons / Saturated hydrocarbons / Cycloalkanes
Cyclotetradecane	67524	Click to see C1CCCCCCCCCCCCC1	196.37	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
(-)-beta-Acoradiene	91751401	Click to see CC1CCC(C12CCC(=CC2)C)C(=C)C	204.35	unknown	via CMAUP database
(1R,4S,5R)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene	20055537	Click to see CC1CCC(C12CCC(=CC2)C)C(=C)C	204.35	unknown	via CMAUP database
beta-Acoradiene	6428280	Click to see CC1CCC(C12CCC(=CC2)C)C(=C)C	204.35	unknown	via CMAUP database
gamma-Terpinene	7461	Click to see CC1=CCC(=CC1)C(C)C	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Eicosanoids / Thromboxanes
thromboxane A2	5280497	Click to see CCCCCC(C=CC1C(C2CC(O2)O1)CC=CCCCC(=O)O)O	352.50	unknown	https://doi.org/10.1016/S1011-1344(01)00252-4
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
2-Methylbutyl isovalerate	62445	Click to see CCC(C)COC(=O)CC(C)C	172.26	unknown	https://doi.org/10.1002/CBDV.200900091
Isoamyl isovalerate	12613	Click to see CC(C)CCOC(=O)CC(C)C	172.26	unknown	https://doi.org/10.1080/14786411003792165
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
(R)-3-Hydroxytetradecanoic acid	5288266	Click to see CCCCCCCCCCCC(CC(=O)O)O	244.37	unknown	via CMAUP database
(R)-beta-hydroxypalmitic acid	15569776	Click to see CCCCCCCCCCCCCC(CC(=O)O)O	272.42	unknown	via CMAUP database
(S)-3-Hydroxymyristic acid	5312869	Click to see CCCCCCCCCCCC(CC(=O)O)O	244.37	unknown	via CMAUP database
3-Hydroxyhexadecanoate	22183159	Click to see CCCCCCCCCCCCCC(CC(=O)[O-])O	271.42	unknown	via CMAUP database
3-Hydroxyhexadecanoic acid	301590	Click to see CCCCCCCCCCCCCC(CC(=O)O)O	272.42	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2716326/
3-Hydroxytetradecanoate	22053132	Click to see CCCCCCCCCCCC(CC(=O)[O-])O	243.36	unknown	via CMAUP database
3-Hydroxytetradecanoic acid	16064	Click to see CCCCCCCCCCCC(CC(=O)O)O	244.37	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2716326/
Arachidic Acid	10467	Click to see CCCCCCCCCCCCCCCCCCCC(=O)O	312.50	unknown	https://doi.org/10.1016/J.ARABJC.2013.10.019 https://doi.org/10.1016/S0305-1978(02)00076-5
Myristic Acid	11005	Click to see CCCCCCCCCCCCCC(=O)O	228.37	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5 https://doi.org/10.1016/J.ARABJC.2013.10.019
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5 https://doi.org/10.1007/BF02236306
Palmitoleic Acid	445638	Click to see CCCCCCC=CCCCCCCCC(=O)O	254.41	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5 https://doi.org/10.1016/J.ARABJC.2013.10.019
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Lauric Acid	3893	Click to see CCCCCCCCCCCC(=O)O	200.32	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
Behenic Acid	8215	Click to see CCCCCCCCCCCCCCCCCCCCCC(=O)O	340.60	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Erucic Acid	5281116	Click to see CCCCCCCCC=CCCCCCCCCCCCC(=O)O	338.60	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
Lignoceric Acid	11197	Click to see CCCCCCCCCCCCCCCCCCCCCCCC(=O)O	368.60	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
1-Hexacosanol	68171	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCO	382.70	unknown	https://doi.org/10.1021/NP50030A025
1-Octacosanol	68406	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCO	410.80	unknown	https://doi.org/10.1021/NP50030A025
1-Tetracosanol	10472	Click to see CCCCCCCCCCCCCCCCCCCCCCCCO	354.70	unknown	https://doi.org/10.1021/NP50030A025
1-Triacontanol	68972	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	438.80	unknown	https://doi.org/10.1021/NP50030A025
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
1-Tetradecanol	8209	Click to see CCCCCCCCCCCCCCO	214.39	unknown	https://doi.org/10.1002/CBDV.200900091
2-Tetradecanol	20831	Click to see CCCCCCCCCCCCC(C)O	214.39	unknown	https://doi.org/10.1080/14786411003792165
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
Tridecanal	25311	Click to see CCCCCCCCCCCCC=O	198.34	unknown	https://doi.org/10.1080/14786411003792165
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Elaidolinolenic acid	5282822	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://doi.org/10.1007/BF02236306
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1016/S0305-1978(02)00076-5 https://doi.org/10.1007/BF02236306
Linolenic Acid	5280934	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://doi.org/10.1007/BF02236306
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
(E)-(7R,11R)-3,7,11,15-tetramethylhexadec-2-ene-1-ol	145386	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	via CMAUP database
3,7,11,15-Tetramethyl-2-hexadecen-1-OL	5366244	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	https://doi.org/10.1080/1478641031000111552
Benzoicacidcyanomethylester	5320547	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	via CMAUP database
cis-Phytol	6430833	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	https://doi.org/10.1080/14786411003792165
Phytol	5280435	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	https://doi.org/10.1080/1478641031000111552
Phytol [FHFI]	9018	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids
(1R,6S,9R,10S,13S)-6-(2-hydroperoxypropan-2-yl)-9-methyl-1,3,13-tris(3-methylbut-2-enyl)-10-(2-methylpropanoyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione	163190896	Click to see CC(C)C(=O)C12C3=C(C(=O)C(C1=O)(CC(C2(CCC(O3)C(C)(C)OO)C)CC=C(C)C)CC=C(C)C)CC=C(C)C	568.80	unknown	https://doi.org/10.1021/NP9903752
(1R,9S,10R,11S)-4,4,10-trimethyl-9-[(2R)-2-methylbutanoyl]-1,11-bis(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-3-oxatricyclo[7.3.1.02,7]trideca-2(7),5-diene-8,13-dione	162863358	Click to see CCC(C)C(=O)C12C(=O)C3=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC(C=C3)(C)C	548.80	unknown	https://doi.org/10.1248/CPB.56.1164
(1S,3S,8R,9R,10S)-3-(2-hydroxypropan-2-yl)-9-methyl-8-(2-methylbutanoyl)-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione	16094885	Click to see CCC(C)C(=O)C12C(=O)C(=C3C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC(O3)C(C)(C)O)CC=C(C)C	566.80	unknown	https://doi.org/10.1016/S0367-326X(03)00114-X
(1S,4R,8S,9S,10R)-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione	163078272	Click to see CC(C)C(=O)C12C(=O)C3=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC(C3)C(C)(C)O	552.80	unknown	https://doi.org/10.1248/CPB.56.1164
(1S,4R,8S,9S,10R)-4-(2-hydroxypropan-2-yl)-9-methyl-8-[(2R)-2-methylbutanoyl]-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione	162902400	Click to see CCC(C)C(=O)C12C(=O)C3=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC(C3)C(C)(C)O	566.80	unknown	https://doi.org/10.1248/CPB.56.1164
(1S,4S,8R,10S,11R)-4-(2-hydroxypropan-2-yl)-11-methyl-1-[(2R)-2-methylbutanoyl]-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione	162974327	Click to see CCC(C)C(=O)C12C3=C(CC(O3)C(C)(C)O)C(=O)C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C	566.80	unknown	https://doi.org/10.1248/CPB.56.1164
(1S,4S,8S,9S,10R)-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione	163078274	Click to see CC(C)C(=O)C12C(=O)C3=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC(C3)C(C)(C)O	552.80	unknown	https://doi.org/10.1248/CPB.56.1164
(1S,4S,8S,9S,10R)-4-(2-hydroxypropan-2-yl)-9-methyl-8-[(2R)-2-methylbutanoyl]-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione	162902401	Click to see CCC(C)C(=O)C12C(=O)C3=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC(C3)C(C)(C)O	566.80	unknown	https://doi.org/10.1248/CPB.56.1164
(1S,8R,9R,10S)-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione	44427231	Click to see CC(C)C(=O)C12C(=O)C(=C3C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC(O3)C(C)(C)O)CC=C(C)C	552.80	unknown	via CMAUP database
(1S,8R,9R,10S)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione	163010721	Click to see CC(C)C(=O)C12C(=O)C(=C3C(C1=O)(CCO3)CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C	494.70	unknown	https://doi.org/10.1016/S0367-326X(03)00114-X
3-(2-Hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione	73107525	Click to see CC(C)C(=O)C12C(=O)C(=C3C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC(O3)C(C)(C)O)CC=C(C)C	552.80	unknown	https://doi.org/10.1016/S0367-326X(03)00114-X https://doi.org/10.1021/NP000362K https://doi.org/10.1248/CPB.56.1164 https://doi.org/10.1021/NP980470V
4-(2-Hydroxypropan-2-yl)-11-methyl-1-(2-methylbutanoyl)-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione	162974326	Click to see CCC(C)C(=O)C12C3=C(CC(O3)C(C)(C)O)C(=O)C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C	566.80	unknown	https://doi.org/10.1248/CPB.56.1164
4-(2-Hydroxypropan-2-yl)-11-methyl-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione	73242140	Click to see CC(C)C(=O)C12C3=C(CC(O3)C(C)(C)O)C(=O)C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C	552.80	unknown	https://doi.org/10.1248/CPB.56.1164
4-(2-Hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione	73242139	Click to see CC(C)C(=O)C12C(=O)C3=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC(C3)C(C)(C)O	552.80	unknown	https://doi.org/10.1248/CPB.56.1164
4-(2-Hydroxypropan-2-yl)-9-methyl-8-(2-methylbutanoyl)-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione	162902399	Click to see CCC(C)C(=O)C12C(=O)C3=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC(C3)C(C)(C)O	566.80	unknown	https://doi.org/10.1248/CPB.56.1164
4,4,10-Trimethyl-9-(2-methylbutanoyl)-1,11-bis(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-3-oxatricyclo[7.3.1.02,7]trideca-2(7),5-diene-8,13-dione	162863357	Click to see CCC(C)C(=O)C12C(=O)C3=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC(C=C3)(C)C	548.80	unknown	https://doi.org/10.1248/CPB.56.1164
6-(2-Hydroperoxypropan-2-yl)-9-methyl-1,3,13-tris(3-methylbut-2-enyl)-10-(2-methylpropanoyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione	162912284	Click to see CC(C)C(=O)C12C3=C(C(=O)C(C1=O)(CC(C2(CCC(O3)C(C)(C)OO)C)CC=C(C)C)CC=C(C)C)CC=C(C)C	568.80	unknown	https://doi.org/10.1021/NP9903752
8-Hydroxy-4-methyl-1,5,7-tris(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione	73798956	Click to see CC(C)C(=O)C12C(=O)C3(C(=O)C(C1(O3)O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C	552.80	unknown	https://doi.org/10.1021/NP9903752
8-Hydroxy-4,7-dimethyl-1,5-bis(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione	75049039	Click to see CC(C)C(=O)C12C(=O)C3(C(=O)C(C1(O3)O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)C)CC=C(C)C	498.70	unknown	https://doi.org/10.1248/CPB.56.1164
8-Hydroxyhyperforin 8,1-hemiacetal	21603446	Click to see CC(C)C(=O)C12C(=O)C3(C(=O)C(C1(O3)O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C	552.80	unknown	https://doi.org/10.1021/NP9903752
9-Methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione	85136097	Click to see CC(C)C(=O)C12C(=O)C(=C3C(C1=O)(CCO3)CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C	494.70	unknown	https://doi.org/10.1016/S0367-326X(03)00114-X
Dehydrohyperforin	21590528	Click to see CC(C)C(=O)C12C(=O)C3=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC(C=C3)(C)C	534.80	unknown	https://doi.org/10.1016/S0367-326X(03)00114-X https://doi.org/10.1021/NP000362K
Furohyperforin	11800844	Click to see CC(C)C(=O)C12C(=O)C(=C3C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC(O3)C(C)(C)O)CC=C(C)C	552.80	unknown	via CMAUP database
Oxepahyperforin	10650360	Click to see CC(C)C(=O)C12C3=C(C(=O)C(C1=O)(CC(C2(CCC(O3)C(C)(C)O)C)CC=C(C)C)CC=C(C)C)CC=C(C)C	552.80	unknown	https://doi.org/10.1021/NP9903752
Pyrohyperforin	73808497	Click to see CC(C)C(=O)C12C(=O)C3=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)OC(C=C3)(C)C	534.80	unknown	https://doi.org/10.1016/S0367-326X(03)00114-X https://doi.org/10.1021/NP000362K
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
beta-OCIMENE, (3E)-	5281553	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	via CMAUP database
beta-Ocimene, (3Z)-	5320250	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	via CMAUP database
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	via CMAUP database
Myrcene	31253	Click to see CC(=CCCC(=C)C=C)C	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
2-Isopropyl-5-methylanisole	14104	Click to see CC1=CC(=C(C=C1)C(C)C)OC	164.24	unknown	via CMAUP database
p-CYMENE	7463	Click to see CC1=CC=C(C=C1)C(C)C	134.22	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-Myrtenal	1201529	Click to see CC1(C2CC=C(C1C2)C=O)C	150.22	unknown	via CMAUP database
(-)-Sabinene	11051711	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	via CMAUP database
(+)-alpha-Pinene	82227	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(1R,5R,7R,8S)-4-hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione	100925187	Click to see CCC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C	550.80	unknown	https://doi.org/10.1002/PCA.601 https://doi.org/10.1093/JAOAC/83.4.944 https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026 https://doi.org/10.1002/PCA.720 https://doi.org/10.1055/S-2007-979339 https://doi.org/10.1080/13880200490505663 https://doi.org/10.1016/S0896-8446(01)00110-3 https://doi.org/10.1055/S-2003-45114 https://doi.org/10.1016/S0021-9673(98)00697-9 https://doi.org/10.1021/AC990598X https://doi.org/10.1093/CHROMSCI/41.8.444 https://doi.org/10.1016/S0024-3205(01)00946-8 https://doi.org/10.1021/JF011304N https://doi.org/10.1016/S0168-9452(03)00210-3 https://doi.org/10.1002/(SICI)1097-0231(20000130)14:2<95::AID-RCM843>3.0.CO;2-6 https://doi.org/10.1016/S0014-827X(01)01068-0 https://doi.org/10.1055/S-2007-979340 https://doi.org/10.1093/JAOAC/85.6.1360 https://doi.org/10.1016/S0021-9673(00)00555-0 https://doi.org/10.1002/PCA.638
(1R,5R,7S,8R)-4-hydroxy-1-[(2R)-2-methylbutanoyl]-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one	162949063	Click to see CCC(C)C(=O)C12CC(CC(C1CCC=C(C)C)CC=C(C)C)(C(=C(C2=O)CC=C(C)C)O)CC=C(C)C	522.80	unknown	https://doi.org/10.1021/AC990598X
(1R,5R,7S,8R)-4-hydroxy-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-en-2-one	163090548	Click to see CC(C)C(=O)C12CC(CC(C1CCC=C(C)C)CC=C(C)C)(C(=C(C2=O)CC=C(C)C)O)CC=C(C)C	508.80	unknown	https://doi.org/10.1021/AC990598X
(1R,5R,7S)-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione	101442297	Click to see CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C	468.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2007.06.004
(1S,5S,7R,8S)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione	45112300	Click to see CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C	536.80	unknown	https://doi.org/10.1016/S0031-9422(00)80110-7
(1S,5S,7S,8R)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione	9937023	Click to see CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C	536.80	unknown	https://doi.org/10.1211/0022357991772132
(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
4-Hydroxy-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one	162949062	Click to see CCC(C)C(=O)C12CC(CC(C1CCC=C(C)C)CC=C(C)C)(C(=C(C2=O)CC=C(C)C)O)CC=C(C)C	522.80	unknown	https://doi.org/10.1021/AC990598X
4-Hydroxy-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-en-2-one	163090547	Click to see CC(C)C(=O)C12CC(CC(C1CCC=C(C)C)CC=C(C)C)(C(=C(C2=O)CC=C(C)C)O)CC=C(C)C	508.80	unknown	https://doi.org/10.1021/AC990598X
4-Hydroxy-6-methyl-3,7-bis(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione	53394331	Click to see CC(C)C(=O)C12C(=O)C(CC(C1(C)CCC=C(C)C)CC=C(C)C)C(=O)C(=C2O)CC=C(C)C	468.70	unknown	via CMAUP database
4-Hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione	9963735	Click to see CCC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C	550.80	unknown	via CMAUP database
4-Hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione	162998107	Click to see CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C	468.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2007.06.004
6-methyl-5-(2-methylbutanoyl)-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-olate	90658004	Click to see CCC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)[O-])CC=C(C)C	549.80	unknown	via CMAUP database
Acurea	3662	Click to see CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C	536.80	unknown	https://doi.org/10.1016/S0031-9422(00)00305-8 https://doi.org/10.1038/SJ.ONC.1205190 https://doi.org/10.1055/S-2003-38477 https://doi.org/10.1016/S0939-6411(03)00046-8 https://doi.org/10.1021/JM0209782 https://doi.org/10.1016/S0031-9422(00)80110-7 https://doi.org/10.1211/0022357991772132
alpha-PINENE	6654	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
beta-Pinene	14896	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	via CMAUP database
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
Hyperforin	441298	Click to see CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C	536.80	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9690345/ https://doi.org/10.1016/S0896-8446(01)00110-3 https://doi.org/10.1016/S0040-4039(00)75241-5 https://doi.org/10.1093/AJHP/59.6.545 https://doi.org/10.1055/S-2003-38477 https://doi.org/10.1078/094471103321659951 https://doi.org/10.1002/PCA.638 https://doi.org/10.1093/JAOAC/85.6.1360 https://doi.org/10.1016/S0024-3205(01)00946-8 https://doi.org/10.1002/PCA.601 https://doi.org/10.1016/S0014-827X(01)01068-0 https://doi.org/10.1016/S0944-7113(98)80039-1 https://doi.org/10.1055/S-2002-20053 https://doi.org/10.1016/S0024-3205(03)00314-X https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026 https://doi.org/10.1016/S1043-6618(02)00266-9 https://doi.org/10.1093/CHROMSCI/41.8.444 https://doi.org/10.1300/J044V09N02_14 https://doi.org/10.1021/AC990598X https://doi.org/10.1016/S1086-5802(16)31280-3 https://doi.org/10.1002/PCA.720 https://doi.org/10.1055/S-2007-979344 https://doi.org/10.1055/S-2007-979343 https://doi.org/10.1055/S-2007-979342 https://doi.org/10.1016/S0378-5173(00)00660-8 https://doi.org/10.1055/S-2007-979340 https://doi.org/10.1016/S0378-4347(01)00404-2 https://doi.org/10.1016/S0021-9673(00)00555-0 https://doi.org/10.1177/089198879400700118 https://doi.org/10.1038/SJ.ONC.1205190 https://doi.org/10.1016/S0305-1978(00)00094-6 https://doi.org/10.1055/S-2006-961463 https://doi.org/10.1055/S-2003-45150 https://doi.org/10.1021/JM0209782 https://doi.org/10.1021/JF011304N https://doi.org/10.1080/13880200490505663 https://doi.org/10.1055/S-2007-979339 https://doi.org/10.1093/JAOAC/83.4.944 https://doi.org/10.1016/S0731-7085(01)00548-9 https://doi.org/10.1002/JPS.10057 https://doi.org/10.1081/JLC-100101655 https://doi.org/10.1002/(SICI)1097-0231(20000130)14:2<95::AID-RCM843>3.0.CO;2-6 https://doi.org/10.1055/S-2006-960798 https://doi.org/10.1016/S0021-9673(98)00697-9 https://doi.org/10.1211/0022357991772132 https://doi.org/10.1016/S0031-9422(00)00305-8 https://doi.org/10.1016/S0939-6411(03)00046-8 https://doi.org/10.1055/S-2000-9779 https://doi.org/10.1055/S-2003-45114 https://doi.org/10.1016/S0731-7085(01)00449-6 https://doi.org/10.1055/S-2006-961483 https://doi.org/10.1016/S0168-9452(03)00210-3
Myrtenal	61130	Click to see CC1(C2CC=C(C1C2)C=O)C	150.22	unknown	via CMAUP database
Myrtenol	10582	Click to see CC1(C2CC=C(C1C2)CO)C	152.23	unknown	via CMAUP database
Myrtenol, (-)-	88301	Click to see CC1(C2CC=C(C1C2)CO)C	152.23	unknown	via CMAUP database
Sabinen	18818	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	via CMAUP database
Sabinene	10887971	Click to see CC(C)C12CCC(=C)C1C2	136.23	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
(-)-Terpinen-4-ol	5325830	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	via CMAUP database
(+)-alpha-Phellandrene	443160	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	via CMAUP database
(+)-Menthone	443159	Click to see CC1CCC(C(=O)C1)C(C)C	154.25	unknown	via CMAUP database
(+)-Terpinen-4-ol	2724161	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	via CMAUP database
4-Terpineol, (+/-)-	11230	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	via CMAUP database
alpha-PHELLANDRENE	7460	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	via CMAUP database
alpha-Terpinene	7462	Click to see CC1=CC=C(CC1)C(C)C	136.23	unknown	via CMAUP database
Alpha-Terpineol	17100	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	via CMAUP database
Beta-Phellandrene	11142	Click to see CC(C)C1CCC(=C)C=C1	136.23	unknown	via CMAUP database
Carvone, (-)-	439570	Click to see CC1=CCC(CC1=O)C(=C)C	150.22	unknown	via CMAUP database
Carvone, (+)-	16724	Click to see CC1=CCC(CC1=O)C(=C)C	150.22	unknown	via CMAUP database
Carvone, (+/-)-	7439	Click to see CC1=CCC(CC1=O)C(=C)C	150.22	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	via CMAUP database
Menthone	26447	Click to see CC1CCC(C(=O)C1)C(C)C	154.25	unknown	via CMAUP database
p-Mentha-1,5-dien-8-ol	519323	Click to see CC1=CCC(C=C1)C(C)(C)O	152.23	unknown	via CMAUP database
p-Menthan-3-one	6986	Click to see CC1CCC(C(=O)C1)C(C)C	154.25	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
(+)-m-Mentha-1(6),8-diene	12304570	Click to see CC1=CCCC(C1)C(=C)C	136.23	unknown	via CMAUP database
(2R,3R,4S,6R)-3-methyl-4,6-bis(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)-2-(2-methylpropanoyl)cyclohexan-1-one	21590530	Click to see CC(C)C(=O)C1C(=O)C(CC(C1(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C	400.60	unknown	https://doi.org/10.1016/S0367-326X(03)00114-X https://doi.org/10.1021/NP000362K
2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetaldehyde	98497	Click to see CC1=CCC(C1(C)C)CC=O	152.23	unknown	via CMAUP database
2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone	73106016	Click to see CC(C)C(=O)C1C(=O)C(CC(C1(C)CCC=C(C)C)CC=C(C)C)(CC=C(C)C)C(=O)OC	458.70	unknown	https://doi.org/10.1021/NP000362K
5-Methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone	73808498	Click to see CC(C)C(=O)C1C(=O)C(CC(C1(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C	400.60	unknown	https://doi.org/10.1016/S0367-326X(03)00114-X https://doi.org/10.1021/NP000362K
Cyclohexene, 1-methyl-3-(1-methylethenyl)-	10354	Click to see CC1=CC(CCC1)C(=C)C	136.23	unknown	https://doi.org/10.1002/CBDV.200900091
m-Mentha-1,8-diene, (+)-	91746479	Click to see CC1=CCCC(C1)C(=C)C	136.23	unknown	via CMAUP database
methyl (1S,3R,4R,5S)-4-methyl-1,5-bis(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-2-oxocyclohexane-1-carboxylate	21590529	Click to see CC(C)C(=O)C1C(=O)C(CC(C1(C)CCC=C(C)C)CC=C(C)C)(CC=C(C)C)C(=O)OC	458.70	unknown	https://doi.org/10.1021/NP000362K
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols
Delta-Tocopherol	92094	Click to see CC1=CC(=CC2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)O	402.70	unknown	https://doi.org/10.1016/J.ARABJC.2013.10.019
gamma-Tocopherol	92729	Click to see CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O	416.70	unknown	https://doi.org/10.1016/J.ARABJC.2013.10.019
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-alpha-Amorphene	12306052	Click to see CC1=CC2C(CC1)C(=CCC2C(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
(-)-beta-Bourbonene	324224	Click to see CC(C)C1CCC2(C1C3C2CCC3=C)C	204.35	unknown	via CMAUP database
(-)-Zingiberene	521253	Click to see CC1=CCC(C=C1)C(C)CCC=C(C)C	204.35	unknown	via CMAUP database
(+)-alpha-Longipinene	520957	Click to see CC1=CCC2C3C1C2(CCCC3(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	via CMAUP database
(+)-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	via CMAUP database
(+)-Longicyclene	16217633	Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C	204.35	unknown	via CMAUP database
(+)-Longicyclene, >=95.0% (sum of enantiomers, GC)	71311545	Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C	204.35	unknown	via CMAUP database
(+)-Nerolidol	5356544	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
(+)-tau-Muurolol	51394521	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
(+)(-)-(E)-beta-caryophyllene	14757966	Click to see CC1(CC2C1CCC(=C)CCCC2=C)C	204.35	unknown	via CMAUP database
(1R,4aR,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalene	91753509	Click to see CC1CCC(=C(C)C)C2C1CCC(=C2)C	204.35	unknown	via CMAUP database
(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,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene	6430869	Click to see CC1CCC(C2C1=CCC(=C2)C)C(C)C	204.35	unknown	via CMAUP database
(3R,6E)-nerolidol	11241545	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
(3S,6E)-Nerolidol	5281525	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	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
(9S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane	75530194	Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C	204.35	unknown	via CMAUP database
(E)-beta-farnesene	10407	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	via CMAUP database
(Z,E)-alpha-Farnesene	5362889	Click to see CC(=CCCC(=CCC=C(C)C=C)C)C	204.35	unknown	via CMAUP database
(Z)-caryophyllene	6429301	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
1-methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene	5316205	Click to see CC1=CC=C(CC1)C2(CCCC2(C)C)C	204.35	unknown	https://doi.org/10.1002/FFJ.2730100606
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	via CMAUP database
1,6-Dimethyl-4-isopropyltetralin	10224	Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C	202.33	unknown	via CMAUP database
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6Z)-	12227246	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
14-Oxy-alpha-muurolene	91746681	Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C=O	218.33	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-[(7R,10R)-4,10-dimethyl-7-tricyclo[4.4.0.01,5]decanyl]propan-2-ol	91747362	Click to see CC1CCC23C1C2C(CCC3C)C(C)(C)O	222.37	unknown	via CMAUP database
3-((1S)-1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene, (3R)-	91746521	Click to see CC(CCC=C(C)C)C1CCC(=C)C=C1	204.35	unknown	via CMAUP database
3-(1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene	519764	Click to see CC(CCC=C(C)C)C1CCC(=C)C=C1	204.35	unknown	via CMAUP database
3-Cyclohexen-1-ol, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-	27208	Click to see CC1=CCC(CC1)(C(C)CCC=C(C)C)O	222.37	unknown	via CMAUP database
3,4-Dihydrocadalene	528708	Click to see CC1=CCC(C2=C1C=CC(=C2)C)C(C)C	200.32	unknown	via CMAUP database
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
6,10,14-Trimethylpentadecan-2-one	10408	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=O)C	268.50	unknown	via CMAUP database
alpha-Bisabolol	10586	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	via CMAUP database
alpha-Cadinol #1	6431302	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
Alpha-Farnesene	5281516	Click to see CC(=CCCC(=CCC=C(C)C=C)C)C	204.35	unknown	via CMAUP database
alpha-Muurolol	91753440	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
beta-Bourbonene	62566	Click to see CC(C)C1CCC2(C1C3C2CCC3=C)C	204.35	unknown	via CMAUP database
beta-CARYOPHYLLENE OXIDE	1742210	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
beta-Farnesene	5281517	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	via CMAUP database
beta-Farnesene, (6Z)-	5317319	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	via CMAUP database
beta-Guaiene	15560252	Click to see CC1CCC(=C(C)C)CC2=C1CCC2C	204.35	unknown	via CMAUP database
beta-Oplopenone	21626411	Click to see CC(C)C1CCC(=C)C2C1C(CC2)C(=O)C	220.35	unknown	via CMAUP database
beta-Ylangene	519779	Click to see CC(C)C1CCC2(C3C1C2C(=C)CC3)C	204.35	unknown	via CMAUP database
Bisabolol	1549992	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	via CMAUP database
Cadina-1,4-diene	6427091	Click to see CC1CCC(C2C1=CCC(=C2)C)C(C)C	204.35	unknown	via CMAUP database
Cadina-1,4-diene-3-ol	6431196	Click to see CC1CCC(C2C1=CC(C(=C2)C)O)C(C)C	220.35	unknown	via CMAUP database
Calamenene	6429077	Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C	202.33	unknown	https://doi.org/10.1080/14786411003792165
Caryophyllene	5281515	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<195::AID-FFJ807>3.0.CO;2-C
Caryophyllene epoxide	14350	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	https://doi.org/10.1080/14786411003792165
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	via CMAUP database
cis-beta-Guaiene	15560253	Click to see CC1CCC(=C(C)C)CC2=C1CCC2C	204.35	unknown	via CMAUP database
cis-Nerolidol	5320128	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	https://doi.org/10.1080/14786411003792165
Copaene	19725	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
Cubeban-11-ol	91704131	Click to see CC1CCC23C1C2C(CCC3C)C(C)(C)O	222.37	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	via CMAUP database
delta-Amorphene	12306056	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	via CMAUP database
delta-Cadinene	12306054	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	via CMAUP database
epi-Cubenol	519857	Click to see CC1CCC(C2C1(CCC(=C2)C)O)C(C)C	222.37	unknown	via CMAUP database
Guaiene	6949	Click to see CC1CCC(=C(C)C)CC2=C1CCC2C	204.35	unknown	via CMAUP database
Humulene	5281520	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	via CMAUP database
Ishwarane	14619932	Click to see CC1CCCC23C1(CC4C(C2)C4(C3)C)C	204.35	unknown	https://doi.org/10.1002/FFJ.2730100606
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
Isolongifolene	11127402	Click to see CC1(CCC=C2C13CCC(C3)C2(C)C)C	204.35	unknown	via CMAUP database
Levomenol	442343	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	via CMAUP database
Longicyclene	564934	Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C	204.35	unknown	via CMAUP database
Mintsulfide	14564587	Click to see CC(C)C1CCC2(C1C3C(=C)CCC2S3)C	236.40	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
Nerolidol	8888	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
Oplopenone	6429350	Click to see CC(C)C1CCC(=C)C2C1C(CC2)C(=O)C	220.35	unknown	via CMAUP database
T-Muurolol	3084331	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
tau-Cadinol	12302222	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
tau-Muurolol	6432221	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
trans-Cadina-1,4-diene	91746579	Click to see CC1CCC(C2C1=CCC(=C2)C)C(C)C	204.35	unknown	via CMAUP database
trans-Cadina-1(6),4-diene	10798255	Click to see CC1CCC(C2=C1CCC(=C2)C)C(C)C	204.35	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
trans-Nerolidol	5284507	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
Tricyclo(4.4.0.0(2,7))decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer	87529	Click to see CC(C)C1CCC2(C3C1C2C(=C)CC3)C	204.35	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
> 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
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
(-)-Alloaromadendrene	10899740	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
(-)-Ledol	6431133	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
(+)-Alloaromadendrene	21775889	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
(+)-Aromadendrene	11095734	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
(+)-Globulol	12304982	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
(+)-Ledol	11074994	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
(1aR,4aR,7S,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene	44584667	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
(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	via CMAUP database
(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	via CMAUP database
(1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol	6432706	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1aalpha,4alpha,4abeta,7alpha,7abeta,7balpha)]-	6432561	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1aalpha,4beta,4abeta,7alpha,7abeta,7balpha)]-	6432543	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aalpha,4aalpha,7beta,7abeta,7balpha)]-	6432640	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
Allo-Aromadendrene	42608158	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
Alloaromadendren	91746537	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
Aromadendrene	91354	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
beta-Diploalbicene	177445	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
beta-Spathulenol	522266	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
Ent-Spathulenol	13854255	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
Globulol	101716	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Globulol	12304985	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Isospathulenol	102303030	Click to see CC1=C2CCC(C2C3C(C3(C)C)CC1)(C)O	220.35	unknown	via CMAUP database
Isospathulenol	14038848	Click to see CC1=C2CCC(C2C3C(C3(C)C)CC1)(C)O	220.35	unknown	via CMAUP database
Ledol	92812	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Ledum camphor	22297324	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Spathulenol	92231	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	via CMAUP database
Viridiflorene	10910653	Click to see CC1CCC2=C(CCC3C(C12)C3(C)C)C	204.35	unknown	https://doi.org/10.1080/14786411003792165
Viridiflorol	11996452	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
> 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	via CMAUP database
(1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene	13894533	Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C	204.35	unknown	via CMAUP database
Bicyclogermacrene	13894537	Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C	204.35	unknown	via CMAUP database
Bicyclogermacrene	5315347	Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C	204.35	unknown	via CMAUP database
Isobicyclogermacral	13818876	Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C=O	218.33	unknown	via CMAUP database
trans-Bicyclogermacradiene	11820258	Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids
(+)-beta-Funebrene	91750491	Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C	204.35	unknown	via CMAUP database
(1R,2R,5S,7R)-2,6,6-Trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane	16213223	Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C	204.35	unknown	via CMAUP database
alpha-Cedrene	6431015	Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-	9859094	Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
4,5-di-epi-Aristolochene	6429376	Click to see CC1CCCC2=CCC(CC12C)C(=C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
10-epi-gamma-Eudesmol	6430754	Click to see CC1=C2CC(CCC2(CCC1)C)C(C)(C)O	222.37	unknown	via CMAUP database
10-Epijunenol	573015	Click to see CC(C)C1CCC2(CCCC(=C)C2C1O)C	222.37	unknown	via CMAUP database
2-((2R,4AR,8S)-4A,8-Dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-YL)propan-2-OL	10727766	Click to see CC1CCCC2(C1=CC(CC2)C(C)(C)O)C	222.37	unknown	via CMAUP database
2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propan-2-ol	518516	Click to see CC1=C2CC(CCC2(CCC1)C)C(C)(C)O	222.37	unknown	via CMAUP database
7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene	519361	Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C	204.35	unknown	via CMAUP database
beta-Selinene	442393	Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C	204.35	unknown	via CMAUP database
delta-Selinene	520383	Click to see CC1=C2C=C(CCC2(CCC1)C)C(C)C	204.35	unknown	via CMAUP database
Junenol	6452077	Click to see CC(C)C1CCC2(CCCC(=C)C2C1O)C	222.37	unknown	https://doi.org/10.1002/CBDV.200900091
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2alpha,4aalpha,8abeta)]-	6432455	Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C	204.35	unknown	via CMAUP database
Rosifoliol	527256	Click to see CC1CCCC2(C1=CC(CC2)C(C)(C)O)C	222.37	unknown	via CMAUP database
Sibirene	14167644	Click to see CC(C)C1=CC2C(=C)CCCC2(CC1)C	204.35	unknown	https://doi.org/10.1002/CBDV.200900091
> 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,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/10.1002/(SICI)1099-1026(199905/06)14:3<195::AID-FFJ807>3.0.CO;2-C
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
7(14)-Isodaucen-10-one	15118057	Click to see CC(C)C1CCC2(C1CC(=C)CCC2=O)C	220.35	unknown	via CMAUP database
Germacrene D	5317570	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
Salvial-4(14)-en-1-one	42608172	Click to see CC(C)C1CCC2(C1CC(=C)CCC2=O)C	220.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Guaianes
(-)-Guaia-6,9-diene	14190792	Click to see CC1CCC2C1C=C(CC=C2C)C(C)C	204.35	unknown	via CMAUP database
(+)-Guaia-6,9-diene	14190790	Click to see CC1CCC2C1C=C(CC=C2C)C(C)C	204.35	unknown	via CMAUP database
(1S)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene	101594133	Click to see CC1CCC2C1C=C(CC=C2C)C(C)C	204.35	unknown	via CMAUP database
Guaia-6,9-diene	6427475	Click to see CC1CCC2C1C=C(CC=C2C)C(C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Himachalane and lippifoliane sesquiterpenoids
(1R,6S)-gamma-himachalene	6428535	Click to see CC1=CC2C(CC1)C(=CCCC2(C)C)C	204.35	unknown	via CMAUP database
alpha-Himachalene	520909	Click to see CC1=CC2C(CC1)C(=C)CCCC2(C)C	204.35	unknown	via CMAUP database
beta-Himachalene	11586487	Click to see CC1=CC2C(=C(CCCC2(C)C)C)CC1	204.35	unknown	via CMAUP database
gamma-HIMACHALENE	577062	Click to see CC1=CC2C(CC1)C(=CCCC2(C)C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
Beta-Carotene	5280489	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C	536.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(1R,3R,5S,6R,7S)-3-[[(4aS,5R,8R,8aS)-5-hydroperoxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]nonane-2,4,9-trione	101689788	Click to see CC(C)C1CCC(C2C1C=C(CC2)CC3(C(=O)C4(CC(C(C(C4=O)(C3=O)C(=O)C(C)C)(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)(C)OO	773.10	unknown	https://doi.org/10.1002/ARDP.19953281007
(1R,3S,5R,6R,7S)-3-[[(4aS,5R,8R,8aS)-5-hydroperoxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]nonane-2,4,9-trione	162880808	Click to see CC(C)C1CCC(C2C1C=C(CC2)CC3(C(=O)C4(CC(C(C(C4=O)(C3=O)C(=O)C(C)C)(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)(C)OO	773.10	unknown	https://doi.org/10.1002/ARDP.19953281007
17-[6-hydroperoxy-2-hydroxy-6-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-3-[5-hydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde	72982621	Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C(CCC6(C5(CCC4C3(C)C)C)C)C(CC=CC(C)(C)OO)(COC7C(C(C(C(O7)CO)O)O)O)O)C=O)O)OC8C(C(C(CO8)O)O)O)O)O)O	1079.20	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026
3-[(5-hydroperoxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl)methyl]-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]nonane-2,4,9-trione	56656728	Click to see CC(C)C1CCC(C2C1C=C(CC2)CC3(C(=O)C4(CC(C(C(C4=O)(C3=O)C(=O)C(C)C)(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)(C)OO	773.10	unknown	https://doi.org/10.1002/ARDP.19953281007
3Alpha-Hydroxyurs-12-En-28-Oic Acid	7163177	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O	456.70	unknown	https://doi.org/10.1016/J.BSE.2003.10.010 https://doi.org/10.4268/CJCMM20121613
Methyl betulinate	73493	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)OC	470.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	86821	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.4268/CJCMM20121613
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://doi.org/10.4268/CJCMM20121613
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamine and derivatives
[4-[5-[(4-Amino-1-carboxy-4-oxobutyl)amino]-5-oxopenta-1,3-dienyl]phenyl]-[4-(4-carboxybuta-1,3-dienyl)phenyl]imino-oxidoazanium	163192384	Click to see C1=CC(=CC=C1C=CC=CC(=O)O)N=[N+](C2=CC=C(C=C2)C=CC=CC(=O)NC(CCC(=O)N)C(=O)O)[O-]	518.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
Citric Acid	311	Click to see C(C(=O)O)C(CC(=O)O)(C(=O)O)O	192.12	unknown	https://doi.org/10.1002/PCA.638
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
Malic Acid	525	Click to see C(C(C(=O)O)O)C(=O)O	134.09	unknown	https://doi.org/10.1002/PCA.638
> Organic acids and derivatives / Hydroxy acids and derivatives / Medium-chain hydroxy acids and derivatives
(3R)-3-Hydroxydodecanoic acid	5312804	Click to see CCCCCCCCCC(CC(=O)O)O	216.32	unknown	via CMAUP database
3-Hydroxydodecanoic acid	94216	Click to see CCCCCCCCCC(CC(=O)O)O	216.32	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2716326/
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
(-)-Quinate	1560034	Click to see C1C(C(C(CC1(C(=O)[O-])O)O)O)O	191.16	unknown	via CMAUP database
(+)-Quinic acid	37439	Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O	192.17	unknown	via CMAUP database
1,3,4-Trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid	53420248	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	https://doi.org/10.1055/S-2002-20053
3-{[3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid	348159	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/10.1055/S-2002-20053 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2633243/
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
3-p-Coumaroylquinic acid	9945785	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	https://doi.org/10.1055/S-2002-20053
3-p-Coumaroylquinic acid, (Z)-	92135690	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	https://doi.org/10.1055/S-2002-20053
4-Caffeoylquinic acid;4-O-Caffeoylquinic acid	58427569	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	https://doi.org/10.1055/S-2002-20053
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/10.1055/S-2007-979340 https://doi.org/10.1055/S-2003-45150 https://doi.org/10.1055/S-2007-979339 https://doi.org/10.1055/S-2003-45114 https://doi.org/10.1080/13880200490505663 https://doi.org/10.1016/S0021-9673(98)00697-9 https://doi.org/10.1081/JLC-100101655 https://doi.org/10.1300/J044V09N04_12 https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2633243/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2774925/
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	https://doi.org/10.1055/S-2002-20053
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	https://doi.org/10.1055/S-2002-20053
Quinic acid	6508	Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O	192.17	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	https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Shikimic acids and derivatves
(+)-Shikimic acid	10986763	Click to see C1C(C(C(C=C1C(=O)O)O)O)O	174.15	unknown	via CMAUP database
3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid	1094	Click to see C1C(C(C(C=C1C(=O)O)O)O)O	174.15	unknown	via CMAUP database
Shikimic acid	8742	Click to see C1C(C(C(C=C1C(=O)O)O)O)O	174.15	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
alpha-Acorenol	11972555	Click to see CC1CCC(C12CCC(=CC2)C)C(C)(C)O	222.37	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
beta-Lactose	6134	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/PCA.638
Lactobiose	440995	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/PCA.638
Sucrose	5988	Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O	342.30	unknown	https://doi.org/10.1002/PCA.638
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
D-(-)-Fructose	5984	Click to see C(C(C(C(C(=O)CO)O)O)O)O	180.16	unknown	https://doi.org/10.1002/PCA.638
D-Fructose	2723872	Click to see C1C(C(C(C(O1)(CO)O)O)O)O	180.16	unknown	https://doi.org/10.1002/PCA.638
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
D-Glucose	5793	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	https://doi.org/10.1002/PCA.638
D(+)-Glucose	107526	Click to see C(C(C(C(C(C=O)O)O)O)O)O	180.16	unknown	https://doi.org/10.1002/PCA.638
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
Hexitol	453	Click to see C(C(C(C(C(CO)O)O)O)O)O	182.17	unknown	via CMAUP database
L-Mannitol	136460	Click to see C(C(C(C(C(CO)O)O)O)O)O	182.17	unknown	via CMAUP database
Mannitol	6251	Click to see C(C(C(C(C(CO)O)O)O)O)O	182.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
(R)-2,6-Dimethyl-5-heptenal	6997374	Click to see CC(CCC=C(C)C)C=O	140.22	unknown	via CMAUP database
(S)-2,6-dimethylhept-5-enal	6994791	Click to see CC(CCC=C(C)C)C=O	140.22	unknown	via CMAUP database
(Z)-2-hexenal	6428782	Click to see CCCC=CC=O	98.14	unknown	via CMAUP database
(Z)-non-2-enal	5354833	Click to see CCCCCCC=CC=O	140.22	unknown	via CMAUP database
2-Hexenal	5281168	Click to see CCCC=CC=O	98.14	unknown	via CMAUP database
2-Nonenal	5283335	Click to see CCCCCCC=CC=O	140.22	unknown	via CMAUP database
2,6-Dimethyl-5-heptenal	61016	Click to see CC(CCC=C(C)C)C=O	140.22	unknown	via CMAUP database
Decanal	8175	Click to see CCCCCCCCCC=O	156.26	unknown	via CMAUP database
Hexanal	6184	Click to see CCCCCC=O	100.16	unknown	via CMAUP database
Nonanal	31289	Click to see CCCCCCCCC=O	142.24	unknown	https://doi.org/10.1080/14786411003792165
Undecanal	8186	Click to see CCCCCCCCCCC=O	170.29	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
(E)-jasmone	1549019	Click to see CCC=CCC1=C(CCC1=O)C	164.24	unknown	via CMAUP database
Jasmone	1549018	Click to see CCC=CCC1=C(CCC1=O)C	164.24	unknown	https://doi.org/10.1002/CBDV.200900091
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
6-Methyl-5-hepten-2-one	9862	Click to see CC(=CCCC(=O)C)C	126.20	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
Saroaspidin A	3082648	Click to see CC1=C(C(=C(C(=C1O)C(=O)C(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O	446.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3197739/
Uliginosin A	5315117	Click to see CC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)CC=C(C)C)O	500.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3197739/
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / 2,2-dimethyl-1-benzopyrans
4-[[7,9-Dihydroxy-2,2,4,4-tetramethyl-8-(2-methylpropanoyl)-1,3,3a,9b-tetrahydrocyclopenta[c]chromen-6-yl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one	10370755	Click to see CC(C)C(=O)C1=C(C2=C(C(=C1O)CC3=C(C(C(=O)C(=C3O)C(=O)C(C)C)(C)C)O)OC(C4C2CC(C4)(C)C)(C)C)O	568.70	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromones
5-Hydroxy-7-methoxy-3-methylchromen-4-one	25243499	Click to see CC1=COC2=CC(=CC(=C2C1=O)O)OC	206.19	unknown	https://doi.org/10.1080/1478641031000111552
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones
(2S)-5,8,9-trihydroxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one	162891636	Click to see CC1C(C2=C(O1)C=C(C3=C2OC4=CC(=C(C=C4C3=O)O)O)O)(C)C	328.30	unknown	https://doi.org/10.1248/CPB.56.1164
1,3,5-Trihydroxy-6-methoxyxanthone	5479775	Click to see COC1=C(C2=C(C=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O	274.22	unknown	via CMAUP database
1,3,5,6-Tetrahydroxyxanthone	5479774	Click to see C1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O	260.20	unknown	via CMAUP database
1,3,6-Trihydroxy-5-methoxyxanthone	5493675	Click to see COC1=C(C=CC2=C1OC3=CC(=CC(=C3C2=O)O)O)O	274.22	unknown	https://doi.org/10.1248/CPB.56.1164
1,3,6,7-Tetrahydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one	5358385	Click to see C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O	422.30	unknown	https://doi.org/10.1055/S-2002-20053
5,8,9-trihydroxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one	162891635	Click to see CC1C(C2=C(O1)C=C(C3=C2OC4=CC(=C(C=C4C3=O)O)O)O)(C)C	328.30	unknown	https://doi.org/10.1248/CPB.56.1164
Euxanthone	5281631	Click to see C1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O	228.20	unknown	https://doi.org/10.1016/J.BSE.2003.10.010
Mangiferin	5281647	Click to see C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O	422.30	unknown	https://doi.org/10.1078/0176-1617-00195 https://doi.org/10.1177/089198879400700118 https://doi.org/10.1055/S-2002-20053
Norathyriol	5281656	Click to see C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)O)O	260.20	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.10.017
Toxyloxanthone C	5495919	Click to see CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=C(C=C4)O)O)(C)C	328.30	unknown	via CMAUP database
Xanthone	7020	Click to see C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2	196.20	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones / 2-prenylated xanthones
1,3,6,7-Tetrahydroxy-2-(3-methylbut-2-enyl)xanthone	10314415	Click to see CC(=CCC1=C(C2=C(C=C1O)OC3=CC(=C(C=C3C2=O)O)O)O)C	328.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2008.10.016
1,3,7-Trihydroxy-2-(2-hydroxy-3-methyl-3-butenyl)xanthone	73891071	Click to see CC(=C)C(CC1=C(C2=C(C=C1O)OC3=C(C2=O)C=C(C=C3)O)O)O	328.30	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones / 4-prenylated xanthones
1,3,5,6-Tetrahydroxy-4-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)xanthen-9-one	10000814	Click to see CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C=C3)O)O)C(=C)C)C	396.40	unknown	https://doi.org/10.1248/CPB.56.1164
1,3,5,6-tetrahydroxy-4-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]xanthen-9-one	162888978	Click to see CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C=C3)O)O)C(=C)C)C	396.40	unknown	https://doi.org/10.1248/CPB.56.1164
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones / 8-prenylated xanthones
1,3,6,7-Tetrahydroxy-8-prenylxanthone	15307924	Click to see CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O)C	328.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2008.10.016
1,3,7-Trihydroxy-6-methoxy-8-prenyl xanthone	85769123	Click to see CC(=CCC1=C2C(=CC(=C1O)OC)OC3=CC(=CC(=C3C2=O)O)O)C	342.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2008.10.016 https://doi.org/10.1016/J.PHYTOCHEM.2005.10.017
1,6,7-Trihydroxy-3-(hydroxymethyl)-2,8-bis(3-methylbut-2-enyl)xanthen-9-one	5481476	Click to see CC(=CCC1=C(C2=C(C=C1CO)OC3=C(C2=O)C(=C(C(=C3)O)O)CC=C(C)C)O)C	410.50	unknown	via CMAUP database
gamma-Mangostin	5464078	Click to see CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CC=C(C)C)O)C	396.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.10.017
Garcinone C	44159808	Click to see CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C	414.40	unknown	via CMAUP database
Garcinone E	10298511	Click to see CC(=CCC1=C(C2=C(C=C1O)OC3=C(C(=C(C(=C3C2=O)CC=C(C)C)O)O)CC=C(C)C)O)C	464.50	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones / Pyranoxanthones
Paxanthone	71591732	Click to see CC1(C=CC2=C3C(=CC(=C2O1)OC)OC4=CC(=CC(=C4C3=O)O)O)C	340.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2008.10.016 https://doi.org/10.1248/CPB.56.1164
> Organoheterocyclic compounds / Epoxides
(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
1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene	23274265	Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C	220.35	unknown	via CMAUP database
CID 92476330	92476330	Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C	220.35	unknown	via CMAUP database
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	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
Melatonin	896	Click to see CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC	232.28	unknown	https://doi.org/10.1007/S00114-002-0376-1 https://doi.org/10.1016/S0140-6736(05)64014-7
> Organoheterocyclic compounds / Indoles and derivatives / Tryptamines and derivatives / Serotonins
Serotonin	5202	Click to see C1=CC2=C(C=C1O)C(=CN2)CCN	176.21	unknown	https://doi.org/10.1007/S00114-002-0376-1
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(5R)-5-[(Z)-hex-4-en-2-ynyl]oxolan-2-one	162852891	Click to see CC=CC#CCC1CCC(=O)O1	164.20	unknown	https://doi.org/10.1055/S-2002-20053
> Organoheterocyclic compounds / Tetrahydrofurans
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 / Tetrapyrroles and derivatives / Porphyrins
3,3'-[8-Ethyl-13-(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-2,18-diyl]dipropanoic acid	3086258	Click to see CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3)C(C)O)C	582.70	unknown	https://doi.org/10.1016/J.JPHOTOBIOL.2006.02.001
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Hydroxycinnamic acid glycosides
1-Caffeoyl-beta-D-glucose	5281761	Click to see C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O)O	342.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
Caffeic Acid	689043	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://doi.org/10.1300/J044V09N04_12 https://doi.org/10.1055/S-2007-979339
cis-Caffeic acid	1549111	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	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	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
(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	via CMAUP database
2-(3,4-dihydroxyphenyl)-8-[(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	360757	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/10.1016/S0939-6411(03)00046-8
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol	130556	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/10.1016/S0939-6411(03)00046-8
2-(3,4-Dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-6-yl]-3,5,7-trihydroxychromen-4-one	163002605	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=C(C5=C4OC(=C(C5=O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O	602.50	unknown	https://doi.org/10.1007/S10600-007-0209-8
3,8'-Biapigenin	10414856	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O	538.50	unknown	via CMAUP database
Amentoflavone	5281600	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O	538.50	unknown	https://doi.org/10.1055/S-2006-961839 https://doi.org/10.1081/JLC-100101655 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2774925/ https://doi.org/10.1055/S-2006-957796 https://doi.org/10.1055/S-2002-20053 https://doi.org/10.1021/AC990598X https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2633243/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9690345/
Procyanidin A1	5089889	Click to see C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O	576.50	unknown	via CMAUP database
Procyanidin A2	124025	Click to see C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O	576.50	unknown	https://doi.org/10.1080/14786411003792165
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	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
(+/-)-Epicatechin	255538	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
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	https://doi.org/10.1016/J.JEP.2009.10.011
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/10.1055/S-2007-979340 https://doi.org/10.1055/S-2007-979339
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/10.1055/S-2007-979340 https://doi.org/10.1055/S-2007-979339 https://doi.org/10.1016/J.JEP.2009.10.011
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
(+)-Epigallocatechin	10425234	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
Epigallocatechin	72277	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
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin	5280443	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	270.24	unknown	https://doi.org/10.1081/JLC-100101655
Chrysin	5281607	Click to see C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O	254.24	unknown	via CMAUP database
Luteolin	5280445	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	https://doi.org/10.1081/JLC-100101655 https://doi.org/10.1016/S0031-9422(97)00963-1
Quercetin-7-olate	46906036	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-])O)O	301.23	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / 6-prenylated flavones
Gancaonin O	14604081	Click to see CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)C	354.40	unknown	https://doi.org/10.1016/S0031-9422(97)00963-1
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Fisetin	5281614	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O	286.24	unknown	via CMAUP database
Isorhamnetin	5281654	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	316.26	unknown	via CMAUP database
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	https://doi.org/10.1081/JLC-100101655 https://doi.org/10.1016/J.JEP.2004.03.042
Myricetin	5281672	Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O	318.23	unknown	https://doi.org/10.1055/S-2007-979340 https://doi.org/10.1055/S-2007-979339
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	https://doi.org/10.1055/S-2007-979340 https://doi.org/10.1055/S-2007-979339 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9690345/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2774925/ https://doi.org/10.1055/S-2006-957796 https://doi.org/10.1055/S-2002-20053 https://doi.org/10.1002/PCA.638 https://doi.org/10.1016/0165-1218(88)90161-9 https://doi.org/10.1248/CPB.56.1164 https://doi.org/10.4268/CJCMM20121613 https://doi.org/10.1080/14786410410001715596 https://doi.org/10.1055/S-2006-961483 https://doi.org/10.1016/S0378-5173(00)00660-8 https://doi.org/10.1055/S-0031-1300225 https://doi.org/10.1016/J.JEP.2004.03.042 https://doi.org/10.1300/J044V09N04_12 https://doi.org/10.1016/S0021-9673(00)00555-0 https://doi.org/10.1016/S0378-4347(01)00404-2 https://doi.org/10.1007/S10600-007-0209-8 https://doi.org/10.1016/S0014-827X(01)01068-0 https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026 https://doi.org/10.1016/S0305-1978(00)00094-6 https://doi.org/10.1002/JPS.10057 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2633243/ https://doi.org/10.1002/(SICI)1097-0231(20000130)14:2<95::AID-RCM843>3.0.CO;2-6 https://doi.org/10.1177/089198879400700118 https://doi.org/10.1055/S-2003-45150 https://doi.org/10.1021/AC990598X https://doi.org/10.1055/S-2000-9779 https://doi.org/10.1055/S-2003-45114 https://doi.org/10.1080/13880200490505663
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
Cyanidin 3-rhamnoside	72812405	Click to see CC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)O)O)O	433.40	unknown	https://doi.org/10.1055/S-2002-20053
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	6426860	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1055/S-2002-20053
Isoorientin	114776	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1055/S-2002-20053
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-3-O-glucuronides
(2S,3S,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	154497005	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	478.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026
(2S,3S,4S,5R)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	13258914	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	478.40	unknown	via CMAUP database
(2S,3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid	44259219	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	478.40	unknown	https://doi.org/10.1055/S-2000-11119 https://doi.org/10.1055/S-2002-20053
Quercetin 3-glucuronide	12004528	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	478.40	unknown	https://doi.org/10.1055/S-2000-11119 https://doi.org/10.1055/S-2002-20053
Querciturone	5274585	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	478.40	unknown	https://doi.org/10.1055/S-2000-11119 https://doi.org/10.1055/S-2002-20053
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	44258061	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1016/S0031-9422(97)00963-1
2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	15559460	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1016/S0031-9422(97)00963-1
5,7-Dihydroxy-2-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one	12309349	Click to see C1=CC(=C(C=C1C2=CC(=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/10.1016/S0031-9422(97)00963-1
Luteolin 3'-glucoside	12309350	Click to see C1=CC(=C(C=C1C2=CC(=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/10.1016/S0031-9422(97)00963-1
Luteolin 5-glucoside	5317471	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1016/S0031-9422(97)00963-1
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one	131707845	Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	450.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026
[(2R,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate	10393794	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O	600.50	unknown	via CMAUP database
[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate	101851760	Click to see CC(=O)OC1C(C(C(OC1OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)CO)O)O	506.40	unknown	https://doi.org/10.1055/S-2002-20053
2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one	53399169	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=C(C(=CC=C5)O)O)O)O)O)O)O)O	610.50	unknown	via CMAUP database
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one	5317847	Click to see C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	434.30	unknown	https://doi.org/10.1055/S-2002-20053
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one	15939939	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	via CMAUP database
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/10.1055/S-2007-979340 https://doi.org/10.1055/S-2002-20053 https://doi.org/10.1055/S-2007-979339 https://doi.org/10.1002/JPS.10057 https://doi.org/10.1002/PCA.638 https://doi.org/10.1055/S-2003-45114 https://doi.org/10.1016/S0305-1978(00)00094-6 https://doi.org/10.1055/S-2006-957796 https://doi.org/10.1080/13880200490505663 https://doi.org/10.1016/S0021-9673(98)00697-9 https://doi.org/10.1055/S-2006-959913 https://doi.org/10.1081/JLC-100101655 https://doi.org/10.1016/S0378-5173(00)00660-8 https://doi.org/10.1177/089198879400700118 https://doi.org/10.1055/S-0031-1300225 https://doi.org/10.1055/S-2000-11119 https://doi.org/10.1055/S-2000-9779 https://doi.org/10.1016/S0014-827X(01)01068-0 https://doi.org/10.1021/AC990598X https://doi.org/10.1016/S0021-9673(00)00555-0 https://doi.org/10.1016/S0378-4347(01)00404-2 https://doi.org/10.1002/(SICI)1097-0231(20000130)14:2<95::AID-RCM843>3.0.CO;2-6
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3-dihydrochromen-4-one	5317364	Click to see C1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	436.40	unknown	https://doi.org/10.1021/AC990598X
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	https://doi.org/10.1055/S-2000-11119 https://doi.org/10.1021/AC990598X https://doi.org/10.1016/J.JEP.2009.10.011 https://doi.org/10.1007/S10600-007-0209-8
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one	26339717	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/10.1016/J.PHYTOCHEM.2006.11.026
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	44259091	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
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one	44259215	Click to see C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	434.30	unknown	https://doi.org/10.1055/S-2002-20053
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	11557027	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
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl D-galactopyranoside	11751616	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
3-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethyl-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one	5481881	Click to see CC1C(OC(C(C1O)O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)C	446.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3132159/
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one	12308704	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O	434.30	unknown	https://doi.org/10.1021/AC990598X
3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one	5320668	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O	434.30	unknown	https://doi.org/10.1021/AC990598X
3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one	44144273	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O	434.30	unknown	via CMAUP database
3-[5-(1,2-Dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one	13179952	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)C(CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.1016/J.JEP.2009.10.011 https://doi.org/10.1021/AC990598X
4-[5,7-dihydroxy-4-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-hydroxyphenolate	54758589	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
Astilbin	119258	Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	450.40	unknown	https://doi.org/10.1055/S-2000-11119 https://doi.org/10.1055/S-2002-20053
Avicularin	5490064	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O	434.30	unknown	https://doi.org/10.4268/CJCMM20121613 https://doi.org/10.1016/J.JEP.2004.03.042
Glyphoside	74978233	Click to see CC(=O)OC1C(C(C(OC1OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)CO)O)O	506.40	unknown	https://doi.org/10.1055/S-2002-20053
Guaijaverin	5481224	Click to see C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	434.30	unknown	https://doi.org/10.1055/S-2002-20053
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/10.1055/S-2007-979340 https://doi.org/10.1055/S-2002-20053 https://doi.org/10.1055/S-2003-45150 https://doi.org/10.1055/S-2007-979339 https://doi.org/10.1016/J.JEP.2004.03.042 https://doi.org/10.1055/S-2006-960798 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9690345/ https://doi.org/10.1002/JPS.10057 https://doi.org/10.1002/PCA.638 https://doi.org/10.1055/S-2003-45114 https://doi.org/10.1016/S0305-1978(00)00094-6 https://doi.org/10.1055/S-2006-957796 https://doi.org/10.1080/13880200490505663 https://doi.org/10.1016/S0021-9673(98)00697-9 https://doi.org/10.1055/S-2006-959913 https://doi.org/10.1081/JLC-100101655 https://doi.org/10.1016/S0378-5173(00)00660-8 https://doi.org/10.1177/089198879400700118 https://doi.org/10.1300/J044V09N04_12 https://doi.org/10.1055/S-0031-1300225 https://doi.org/10.1055/S-2000-11119 https://doi.org/10.1055/S-2000-9779 https://doi.org/10.1016/S0014-827X(01)01068-0 https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026 https://doi.org/10.1021/AC990598X https://doi.org/10.4268/CJCMM20121613 https://doi.org/10.1016/S0021-9673(00)00555-0 https://doi.org/10.1016/S0378-4347(01)00404-2 https://doi.org/10.1002/(SICI)1097-0231(20000130)14:2<95::AID-RCM843>3.0.CO;2-6 https://doi.org/10.1016/J.JEP.2009.10.011 https://doi.org/10.1007/S10600-007-0209-8
Isoastilbin	316844	Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	450.40	unknown	https://doi.org/10.1055/S-2000-11119 https://doi.org/10.1055/S-2002-20053 https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026
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	https://doi.org/10.1055/S-2003-45150 https://doi.org/10.1055/S-2000-11119
Isoquercitrin	5484006	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)C(CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.1016/J.JEP.2009.10.011 https://doi.org/10.1021/AC990598X
Quercetin 3-alloside	12304327	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/10.1016/J.PHYTOCHEM.2005.10.017 https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026
quercetin 3-O-alpha-L-fucopyranoside	5359430	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	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/10.1055/S-2007-979339 https://doi.org/10.1055/S-2006-959913 https://doi.org/10.1300/J044V09N04_12 https://doi.org/10.1016/J.PHYTOCHEM.2006.11.026 https://doi.org/10.1021/AC990598X https://doi.org/10.1016/S0378-4347(01)00404-2
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/10.1055/S-2007-979340 https://doi.org/10.1055/S-2002-20053 https://doi.org/10.1055/S-2003-45150 https://doi.org/10.1055/S-2007-979339 https://doi.org/10.1016/J.JEP.2004.03.042 https://doi.org/10.1055/S-2006-960798 https://doi.org/10.1002/JPS.10057 https://doi.org/10.1002/PCA.638 https://doi.org/10.1055/S-2003-45114 https://doi.org/10.1016/S0305-1978(00)00094-6 https://doi.org/10.1055/S-2006-957796 https://doi.org/10.1080/13880200490505663 https://doi.org/10.1016/S0021-9673(98)00697-9 https://doi.org/10.1055/S-2006-959913 https://doi.org/10.1016/S0378-5173(00)00660-8 https://doi.org/10.1177/089198879400700118 https://doi.org/10.1300/J044V09N04_12 https://doi.org/10.1055/S-0031-1300225 https://doi.org/10.1055/S-2000-11119 https://doi.org/10.1055/S-2000-9779 https://doi.org/10.1016/S0014-827X(01)01068-0 https://doi.org/10.1021/AC990598X https://doi.org/10.1016/S0378-4347(01)00404-2 https://doi.org/10.1016/S0021-9673(00)00555-0 https://doi.org/10.1002/(SICI)1097-0231(20000130)14:2<95::AID-RCM843>3.0.CO;2-6
Quercitrin-7-olate	49792009	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	447.40	unknown	via CMAUP database
Reynoutrin	5878729	Click to see C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	434.30	unknown	https://doi.org/10.1055/S-2002-20053
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/10.1016/S0378-4347(01)00404-2 https://doi.org/10.1016/S0021-9673(00)00555-0 https://doi.org/10.1055/S-2006-959913 https://doi.org/10.1055/S-0031-1300225 https://doi.org/10.1016/J.JEP.2009.10.011 https://doi.org/10.1055/S-2003-45150 https://doi.org/10.1300/J044V09N04_12 https://doi.org/10.1055/S-2007-979340 https://doi.org/10.1055/S-2003-45114 https://doi.org/10.1055/S-2007-979339 https://doi.org/10.1177/089198879400700118 https://doi.org/10.1080/14786410410001715596 https://doi.org/10.1016/S0305-1978(00)00094-6 https://doi.org/10.1016/S0378-5173(00)00660-8 https://doi.org/10.1080/13880200490505663 https://doi.org/10.1055/S-2002-20053 https://doi.org/10.1021/AC990598X https://doi.org/10.1016/J.JEP.2004.03.042 https://doi.org/10.4268/CJCMM20121613 https://doi.org/10.1002/JPS.10057 https://doi.org/10.1002/PCA.638 https://doi.org/10.1002/(SICI)1097-0231(20000130)14:2<95::AID-RCM843>3.0.CO;2-6 https://doi.org/10.1016/S0014-827X(01)01068-0 https://doi.org/10.1248/CPB.56.1164 https://doi.org/10.1007/S10600-007-0209-8 https://doi.org/10.1016/S0021-9673(98)00697-9 https://doi.org/10.1055/S-2006-957796
Vitamin P	5293655	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/10.1248/CPB.56.1164 https://doi.org/10.1021/AC990598X https://doi.org/10.1016/J.JEP.2009.10.011 https://doi.org/10.1007/S10600-007-0209-8
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-	3594	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	via CMAUP database
Apigenin 7-O-glucoside	5385553	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O	432.40	unknown	via CMAUP database
Apigenin-7-O-Glucoside	12304093	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O	432.40	unknown	via CMAUP database
Apigetrin	5280704	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O	432.40	unknown	via CMAUP database
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	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 5-O-methylated flavonoids
Chrysoeriol 5-methyl ether	13964549	Click to see COC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC(=C(C=C3)O)OC)O	314.29	unknown	https://doi.org/10.1016/S0031-9422(97)00963-1
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
5-Hydroxy-7-methoxy-2-phenylchroman-4-one	73201	Click to see COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O	270.28	unknown	https://doi.org/10.1055/S-2002-20053
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
2-[[(8R,9S,27R,29S,30R)-1,2,2,14,15,16,19,20,35,36-decahydroxy-3,6,11,24,32-pentaoxo-29-(3,4,5-trihydroxybenzoyl)oxy-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaen-21-yl]oxy]-3,4,5-trihydroxybenzoic acid	46905123	Click to see C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O6)O)(O)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)OC1=C(C(=C(C=C1C(=O)O)O)O)O)O)O)O)O)O	1120.70	unknown	via CMAUP database

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Hypericum perforatum

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