Crocus sativus, also known as saffron crocus or autumn crocus, is a flowering plant in the iris family that is cultivated for its use in cooking and traditional medicine. It is a perennial plant that blooms in the autumn and is native to Greece. The plant is sterile and relies on manual propagation, making it difficult to find new cultivars with beneficial properties. The stigmas of the flower are used as the spice saffron, and it takes a large number of flowers to produce a small amount of saffron. The plant is best grown in full sun and well-drained soil, and its corms will multiply each year.

Synonyms Top

Scientific name	Authority	First published in
Safran officinarum	Medik.	Hist. & Commentat. Acad. Elect. Sci. Theod.-Palat. 6: 473 (1790)
Crocus colchiciflorus	Reut. ex Maw	Crocus 99. 1886 (1886)
Crocus officinalis	Honck.	Syn. Pl. Germ. 1: 273 (1792)
Crocus orsinii	Parl.	Fl. Ital. 3: 238 (1860)
Crocus pendulus	Stokes	Bot. Comm. 1: 209 (1830)
Crocus sativus var. cashmerianus	Royle	Ill. Bot. Himal. Mts. 1: t. 90, f. 1. 1834
Crocus sativus var. officinalis	L.	Sp. Pl. : 36 (1753)
Geanthus autumnalis	Raf.	Specchio Sci. 1: 116 (1814)
Crocus setifolius	Stokes	Bot. Mat. Med. 1: 104 (1812)
Crocus sativus var. orsinii	(Parl.) Maw	Gard. Chron. n.s., 11: 234. 1879
Crocus sativus subsp. orsinii	(Parl.) K.Richt.	Pl. Eur. 1: 248. 1890 (1890)

Common names Top

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Filter by language:

Language	Common/alternative name
English	saffron crocus
English	saffron
English	autumn crocus
English	saffron flower
Spanish	azafrán
Arabic	زعفران مزروع
Arabic	زعفران
Arabic	عبير
Arabic	جادي
Arabic	كروكو
Arabic	رهقان
Azerbaijani	adi zəfəran
azb	عادی زعفران
Bulgarian	шафранов минзухар
bho	क्रोकस सैटाइवस
bho	सैफ्रॉन क्रोकस
bho	केसर के पौधा
Bengali	জাফরান
Catalan	safrà
Catalan	safranera
Czech	šafrán setý
Danish	safrankrokus
German	schaffner
German	broze
German	saffran
German	croc
German	brugo
German	chruogo
German	gewürzsafran
German	kruago
German	saffaran
German	saffaren
German	saffart
German	safferain
German	safferen
German	safferntblume
German	safferon
German	saffrat
German	saffrath
German	safrich
German	seydfarb
German	sintvarwe
German	soffraen
German	suffran
German	safran
Estonian	safrankrookus
Basque	azafrai
Persian	کروکاس ساتیوس
Finnish	maustesahrami
Finnish	sahramikrookus
frr	safraan
frr	saweraan
Irish	cróch
Irish	cróch safrón
Galician	azafrán
Hungarian	jóféle sáfrány
Italian	zafferano vero
Italian	zafferano
Japanese	サフランの原種
Japanese	咱夫藍
Japanese	洎夫藍
Japanese	洎夫蘭
Japanese	薬用サフラン
Japanese	サフラン
Kazakh	Екпе запыран
ku	zehferan
ku	hanek
ku	sefran
ku	zeferan
ku	gula hesretê
Cornish	safron
lb	safron
lb	zafron
lb	safran
Lithuanian	daržinis krokas
Latvian	safrāna krokuss
Macedonian	шафран
Macedonian	качунка
Malayalam	ക്രോക്കസ് സാറ്റിവസ്
Burmese	ကုံကုမံပင်
Dutch	saffraankrokus
Norwegian Nynorsk	c. sativus
Norwegian Nynorsk	safrankrokus
os	Таугæ уæдæрттæг
Polish	szafran uprawny
Portuguese	açafrão
Russian	Крокус шафрановый
Russian	Шафрановый крокус
Russian	шафран посевной
Slovak	šafran siaty
Slovenian	pravi žafran
Swedish	saffranskrokus
Thai	หญ้าฝรั่น
Ukrainian	Шафран посівний
Uzbek	zaʼfaron
Vietnamese	nghệ tây
Chinese	藏红花
Chinese	西红花
Chinese	番红花
Chinese	鬱金香
Chinese	藏紅花
Chinese	紅藍花
Chinese	紫述香
Chinese	草麝香
Chinese	番紅花

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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No variety added yet.

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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Expose seeds to natural outdoor winter conditions for 3 months, then gradually increase light and temperature in the spring.

best sown in fall; grow seedlings @ 4°C; leave in pot for 2 years before planting out

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- Northern Africa
  - Morocco

Asia-temperate click to expand
- Western Asia
  - Iran
  - Turkey

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

Europe click to expand
- Middle Europe
  - Czechoslovakia
- Southeastern Europe
  - Greece
  - Italy
- Southwestern Europe
  - Spain

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000788844
UNII	Z5C927G4XF
USDA Plants	CRSA15
Tropicos	16600120
INPN	93263
Flora of Italy	9458
KEW	urn:lsid:ipni.org:names:436688-1
The Plant List	kew-327454
Missouri Botanical Garden	281106
Open Tree Of Life	542824
Observations.org	142547
NCBI Taxonomy	82528
NBN Atlas	NBNSYS0000002274
IPNI	436688-1
iNaturalist	118933
GBIF	2747430
Freebase	/m/0d_94
Freebase	/m/0117_25k
EPPO	CVOSA
EOL	488247
Elurikkus	295139
US Library of Congress	sh85116464
USDA GRIN	12265
Wikipedia	Crocus_sativus
CMAUP	NPO9445

Genomes (via NCBI) Top

No reference genome is available on NCBI yet. We are constantly monitoring for new data.

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

Edible Herbal Medicines as an Alternative to Common Medication for Sleep Disorders: A Review Article

Hosseini A, Mobasheri L, Rakhshandeh H, Rahimi VB, Najafi Z, Askari VR

Curr Neuropharmacol

22-Jun-2024

PMCID:	PMC10964091
doi:	10.2174/1570159X21666230621143944
PMID:	37345244

Metabolomic and transcriptomic analyses of yellow-flowered crocuses to infer alternative sources of saffron metabolites

Nemati Z, Kazemi-Shahandashti SS, Garibay-Hernández A, Mock HP, Schmidt MH, Usadel B, Blattner FR

BMC Plant Biol

07-May-2024

PMCID:	PMC11075242
doi:	10.1186/s12870-024-05036-1
PMID:	38711012

Safranal exerts a neuroprotective effect on Parkinson’s disease with suppression of NLRP3 inflammation activation

Yang W, Wei Y, Sun J, Yao C, Ai F, Ding H

Mol Biol Rep

29-Apr-2024

PMCID:	PMC11059006
doi:	10.1007/s11033-024-09537-y
PMID:	38683404

Environmental risk factors provoke new thinking for prevention and treatment of dementia with Lewy bodies

An D, Xu Y

Heliyon

26-Apr-2024

PMCID:	PMC11068646
doi:	10.1016/j.heliyon.2024.e30175
PMID:	38707435

Potential Targets of Natural Products for Improving Cardiac Ischemic Injury: The Role of Nrf2 Signaling Transduction

Wang H, Han J, Dmitrii G, Zhang XA

Molecules

26-Apr-2024

PMCID:	PMC11085255
doi:	10.3390/molecules29092005
PMID:	38731496

2024 International Congress on Integrative Medicine & Health Abstracts

N/A

Glob Adv Integr Med Health

25-Apr-2024

PMCID:	PMC11047233
doi:	10.1177/27536130241242891

An Overview of the Spices Used for the Prevention and Potential Treatment of Gastric Cancer

Kostelecka K, Bryliński Ł, Komar O, Michalczyk J, Miłosz A, Biłogras J, Woliński F, Forma A, Baj J

Cancers (Basel)

22-Apr-2024

PMCID:	PMC11049028
doi:	10.3390/cancers16081611
PMID:	38672692

Use of Transcriptome Sequencing to Analyze the Effects of Different Doses of an Astragalus-Rhubarb-Saffron Mixture in Mice with Diabetic Kidney Disease

Zhou X, He K, Zhao J, Wei G, You Q, Du H, Gu W, Niu H, Jin Q, Wang J, Tang F

Diabetes Metab Syndr Obes

18-Apr-2024

PMCID:	PMC11036333
doi:	10.2147/DMSO.S449792
PMID:	38655491

Hormetic Nutrition and Redox Regulation in Gut–Brain Axis Disorders

Scuto M, Rampulla F, Reali GM, Spanò SM, Trovato Salinaro A, Calabrese V

Antioxidants (Basel)

18-Apr-2024

PMCID:	PMC11047582
doi:	10.3390/antiox13040484
PMID:	38671931

Understanding the Saffron Corm Development—Insights into Histological and Metabolic Aspects

Pallotti C, Renau-Morata B, Cardone L, Nebauer SG, Albiñana Palacios M, Rivas-Sendra A, Seguí-Simarro JM, Molina RV

Plants (Basel)

17-Apr-2024

PMCID:	PMC11055066
doi:	10.3390/plants13081125
PMID:	38674534

A Novel Network Pharmacology Strategy Based on the Universal Effectiveness-Common Mechanism of Medical Herbs Uncovers Therapeutic Targets in Traumatic Brain Injury

Yu Z, Ding R, Yan Q, Cheng M, Li T, Zheng F, Zhu L, Wang Y, Tang T, Hu E

Drug Des Devel Ther

16-Apr-2024

PMCID:	PMC11032138
doi:	10.2147/DDDT.S450895

Unveiling the Role of Oxidative Stress in Cochlear Hair Cell Death: Prospective Phytochemical Therapeutics against Sensorineural Hearing Loss

Gill NB, Dowker-Key PD, Hedrick M, Bettaieb A

Int J Mol Sci

12-Apr-2024

PMCID:	PMC11050722
doi:	10.3390/ijms25084272
PMID:	38673858

Efficacy of whole system ayurveda management protocol in major depressive disorder- A randomized controlled clinical trial

Punia A, Chate S, Tubaki BR, Himaja N

J Ayurveda Integr Med

11-Apr-2024

PMCID:	PMC11016906
doi:	10.1016/j.jaim.2024.100896
PMID:	38608512

State-of-the-Art Review on Botanical Hybrid Preparations in Phytomedicine and Phytotherapy Research: Background and Perspectives

Panossian A, Lemerond T, Efferth T

Pharmaceuticals (Basel)

10-Apr-2024

PMCID:	PMC11053582
doi:	10.3390/ph17040483
PMID:	38675443

Targeting autophagy with natural products as a potential therapeutic approach for diabetic microangiopathy

Liu F, Zhao L, Wu T, Yu W, Li J, Wang W, Huang C, Diao Z, Xu Y

Front Pharmacol

10-Apr-2024

PMCID:	PMC11039818
doi:	10.3389/fphar.2024.1364616
PMID:	38659578

Phytochemical Profile Top

Add a new one!

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

Name	PubChem ID	Canonical SMILES	MW	Found in	Proof
> Alkaloids and derivatives / Harmala alkaloids
(3R,4S)-3,4,5-trihydroxy-1-(9H-pyrido[3,4-b]indol-1-yl)pentan-1-one	15286683	Click to see C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(=O)CC(C(CO)O)O	300.31	unknown	https://doi.org/10.1021/NP0302854
3,4,5-trihydroxy-1-(9H-pyrido[3,4-b]indol-1-yl)pentan-1-one	10334950	Click to see C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(=O)CC(C(CO)O)O	300.31	unknown	https://doi.org/10.1021/NP0302854
Harmalan	160510	Click to see CC1=NCCC2=C1NC3=CC=CC=C23	184.24	unknown	https://doi.org/10.1021/NP0302854
Harman	5281404	Click to see CC1=NC=CC2=C1NC3=CC=CC=C23	182.22	unknown	https://doi.org/10.1021/NP0302854
Perlolyrine	160179	Click to see C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(O4)CO	264.28	unknown	https://doi.org/10.1021/NP0302854
Tribulusterine	4867627	Click to see C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=C(C=CO4)CO	264.28	unknown	https://doi.org/10.1021/NP0302854 https://doi.org/10.1055/S-2008-1074498
> Benzenoids / Benzene and substituted derivatives
1,2,3,5-Tetramethylbenzene	10695	Click to see CC1=CC(=C(C(=C1)C)C)C	134.22	unknown	via CMAUP database
1,4-Diethylbenzene	7734	Click to see CCC1=CC=C(C=C1)CC	134.22	unknown	via CMAUP database
Benzaldehyde, oxime, (Z)-	5324470	Click to see C1=CC=C(C=C1)C=NO	121.14	unknown	via CMAUP database
Benzene ethanol	21965192	Click to see CCO.C1=CC=CC=C1	124.18	unknown	via CMAUP database
Ethylbenzene	7500	Click to see CCC1=CC=CC=C1	106.16	unknown	via CMAUP database
Mesitylene	7947	Click to see CC1=CC(=CC(=C1)C)C	120.19	unknown	via CMAUP database
Phenylethyl Alcohol	6054	Click to see C1=CC=C(C=C1)CCO	122.16	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
Benzoic Acid	243	Click to see C1=CC=C(C=C1)C(=O)O	122.12	unknown	https://doi.org/10.1002/CHIN.200313168 https://doi.org/10.1248/CPB.50.1305
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	https://doi.org/10.1021/NP0302854
4-Hydroxybenzoic acid	135	Click to see C1=CC(=CC=C1C(=O)O)O	138.12	unknown	https://doi.org/10.1021/NP0302854 https://doi.org/10.1002/CHIN.200313168 https://doi.org/10.1248/CPB.50.1305
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
Syringic acid	10742	Click to see COC1=CC(=CC(=C1O)OC)C(=O)O	198.17	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid	370	Click to see C1=C(C=C(C(=C1O)O)O)C(=O)O	170.12	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
Dodecyl gallate	14425	Click to see CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O	338.40	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Methyl vanillate	19844	Click to see COC1=C(C=CC(=C1)C(=O)OC)O	182.17	unknown	https://doi.org/10.1021/NP0302854
Vanillic Acid	8468	Click to see COC1=C(C=CC(=C1)C(=O)O)O	168.15	unknown	https://doi.org/10.1021/NP0302854
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
3-Hydroxy-4-methoxybenzoic acid	12575	Click to see COC1=C(C=C(C=C1)C(=O)O)O	168.15	unknown	https://doi.org/10.1021/NP0302854
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids
Salicylic Acid	338	Click to see C1=CC=C(C(=C1)C(=O)O)O	138.12	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
Methylparaben	7456	Click to see COC(=O)C1=CC=C(C=C1)O	152.15	unknown	https://doi.org/10.1248/CPB.50.1305 https://doi.org/10.1021/NP0302854 https://doi.org/10.1021/NP020188V https://doi.org/10.1002/CHIN.200313168
Protocatechuic acid, methyl ester	287064	Click to see COC(=O)C1=CC(=C(C=C1)O)O	168.15	unknown	https://doi.org/10.1248/CPB.50.1305 https://doi.org/10.1002/CHIN.200313168 https://doi.org/10.1021/NP0302854
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
2-Ethoxy-5-methoxybenzaldehyde	586438	Click to see CCOC1=C(C=C(C=C1)OC)C=O	180.20	unknown	via CMAUP database
2-Methylbenzaldehyde	10722	Click to see CC1=CC=CC=C1C=O	120.15	unknown	via CMAUP database
2,4,5-Trimethylbenzaldehyde	22013	Click to see CC1=CC(=C(C=C1C)C=O)C	148.20	unknown	via CMAUP database
2,5-Dimethylbenzaldehyde	22015	Click to see CC1=CC(=C(C=C1)C)C=O	134.17	unknown	via CMAUP database
3,5-Dimethylbenzaldehyde	34225	Click to see CC1=CC(=CC(=C1)C=O)C	134.17	unknown	via CMAUP database
4-Methylbenzaldehyde	7725	Click to see CC1=CC=C(C=C1)C=O	120.15	unknown	via CMAUP database
Benzaldehyde	240	Click to see C1=CC=C(C=C1)C=O	106.12	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol	244	Click to see C1=CC=C(C=C1)CO	108.14	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes
Phenylacetaldehyde	998	Click to see C1=CC=C(C=C1)CC=O	120.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
1-Methyl-2-propylbenzene	14091	Click to see CCCC1=CC=CC=C1C	134.22	unknown	via CMAUP database
2-Tert-butylphenol	6923	Click to see CC(C)(C)C1=CC=CC=C1O	150.22	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Styrenes
Styrene	7501	Click to see C=CC1=CC=CC=C1	104.15	unknown	via CMAUP database
trans-beta-Methylstyrene	252325	Click to see CC=CC1=CC=CC=C1	118.18	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Toluenes
1-Ethyl-2-methylbenzene	11903	Click to see CCC1=CC=CC=C1C	120.19	unknown	via CMAUP database
1,4-Diethyl-2-methylbenzene	139518	Click to see CCC1=CC(=C(C=C1)CC)C	148.24	unknown	via CMAUP database
4-Ethyltoluene	12160	Click to see CCC1=CC=C(C=C1)C	120.19	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Xylenes / p-Xylenes
2-Ethyl-p-xylene	15653	Click to see CCC1=C(C=CC(=C1)C)C	134.22	unknown	via CMAUP database
> Benzenoids / Indanes
Indan	10326	Click to see C1CC2=CC=CC=C2C1	118.18	unknown	via CMAUP database
> Benzenoids / Naphthalenes
Naphthalene	931	Click to see C1=CC=C2C=CC=CC2=C1	128.17	unknown	via CMAUP database
> Benzenoids / Naphthalenes / Naphthoquinones
(2S,3R)-5,8-dihydroxy-2-(hydroxymethyl)-3-[(2R)-2-hydroxypropyl]-6-methoxy-2,3-dihydronaphthalene-1,4-dione	162963448	Click to see CC(CC1C(C(=O)C2=C(C1=O)C(=C(C=C2O)OC)O)CO)O	310.30	unknown	https://doi.org/10.1016/S0031-9422(00)82412-7
> Benzenoids / Phenols / Benzenetriols and derivatives / Pyrogallols and derivatives / 5-unsubstituted pyrrogallols
Pyrogallol	1057	Click to see C1=CC(=C(C(=C1)O)O)O	126.11	unknown	via CMAUP database
> Benzenoids / Phenols / Tyrosols and derivatives / Tyrosols
[D] Tyrosol	10773058	Click to see C1=CC(=CC=C1CCO)O	140.18	unknown	via CMAUP database
Tyrosol	10393	Click to see C1=CC(=CC=C1CCO)O	138.16	unknown	https://doi.org/10.1021/NP0302854 https://doi.org/10.1002/CHIN.200313168 https://doi.org/10.1248/CPB.50.1305
> Benzenoids / Tetralins
1,8-Dimethyltetralin	32970	Click to see CC1CCCC2=CC=CC(=C12)C	160.25	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Docosane	12405	Click to see CCCCCCCCCCCCCCCCCCCCCC	310.60	unknown	via CMAUP database
Heneicosane	12403	Click to see CCCCCCCCCCCCCCCCCCCCC	296.60	unknown	via CMAUP database
Octadecane	11635	Click to see CCCCCCCCCCCCCCCCCC	254.50	unknown	via CMAUP database
Pentacosane	12406	Click to see CCCCCCCCCCCCCCCCCCCCCCCCC	352.70	unknown	via CMAUP database
Pentadecane	12391	Click to see CCCCCCCCCCCCCCC	212.41	unknown	via CMAUP database
Tricosane	12534	Click to see CCCCCCCCCCCCCCCCCCCCCCC	324.60	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
(6E,8E)-4,6,8-Megastigmatriene	5369483	Click to see CC=CC=C1C(=CCCC1(C)C)C	176.30	unknown	via CMAUP database
2,5-Dimethyl-2,4-hexadiene	12992	Click to see CC(=CC=C(C)C)C	110.20	unknown	via CMAUP database
Dihydro-beta-ionene	85793089	Click to see CC1=C(C(CCC1)(C)C)CCC=C	178.31	unknown	via CMAUP database
Megastigma-4,6(Z),8(Z)-triene	5369742	Click to see CC=CC=C1C(=CCCC1(C)C)C	176.30	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkadienes
1,19-Eicosadiene	519006	Click to see C=CCCCCCCCCCCCCCCCCC=C	278.50	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatrienes
(Z,Z)-Heptadeca-1,8,11-triene	5352709	Click to see CCCCCC=CCC=CCCCCCC=C	234.40	unknown	https://doi.org/10.1021/JF4057023
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
Ethyl palmitate	12366	Click to see CCCCCCCCCCCCCCCC(=O)OCC	284.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Myristic Acid	11005	Click to see CCCCCCCCCCCCCC(=O)O	228.37	unknown	via CMAUP database
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Capric Acid	2969	Click to see CCCCCCCCCC(=O)O	172.26	unknown	via CMAUP database
Caproic Acid	8892	Click to see CCCCCC(=O)O	116.16	unknown	via CMAUP database
Lauric Acid	3893	Click to see CCCCCCCCCCCC(=O)O	200.32	unknown	https://doi.org/10.3109/13880209.2010.547206
Nonanoic Acid	8158	Click to see CCCCCCCCC(=O)O	158.24	unknown	via CMAUP database
Octanoic Acid	379	Click to see CCCCCCCC(=O)O	144.21	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl] (E)-3-phenylprop-2-enoate	44513741	Click to see C=C(CCOC1C(C(C(C(O1)CO)O)O)O)COC(=O)C=CC2=CC=CC=C2	394.40	unknown	https://doi.org/10.1080/10575639708041197 https://doi.org/10.1021/JF9603487 https://doi.org/10.1366/0003702981944058 https://doi.org/10.1055/S-2006-949874
4-hydroxy-3,5,5-trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one	6325925	Click to see CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C	386.40	unknown	https://doi.org/10.1021/JF980119F
4-Hydroxy-3,5,5-trimethyl-4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one	73815023	Click to see CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C	386.40	unknown	https://doi.org/10.1021/JF980119F
6-O-b-D-Glucopyranosyl-D-glucose	20056559	Click to see C(C1C(C(C(C(O1)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O	342.30	unknown	via CMAUP database
Crocin 5	100956919	Click to see C(C1C(C(C(C(O1)OC(=O)C=CC=CC=CC=CC=CC=CC=CC(=O)O)O)O)O)O	434.40	unknown	https://doi.org/10.1055/S-2008-1047858 https://doi.org/10.1016/S0021-9673(98)00938-8
Picrocrocinic acid	5320582	Click to see CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)C(=O)O	346.37	unknown	via CMAUP database
Roseoside	9930064	Click to see CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C	386.40	unknown	https://doi.org/10.1021/JF980119F
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Sophorolipids
Crocetin neapolitanose gentiobiosyl ester	25246046	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C=CC=C(C)C(=O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O	1139.10	unknown	https://doi.org/10.1021/JF950713E
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
1-Dodecanol	8193	Click to see CCCCCCCCCCCCO	186.33	unknown	via CMAUP database
1-Octen-3-Ol	18827	Click to see CCCCCC(C=C)O	128.21	unknown	via CMAUP database
1-Tricosanol	18431	Click to see CCCCCCCCCCCCCCCCCCCCCCCO	340.60	unknown	via CMAUP database
Docosanol	12620	Click to see CCCCCCCCCCCCCCCCCCCCCCO	326.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
1-Nonadecanol	80281	Click to see CCCCCCCCCCCCCCCCCCCO	284.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
(2-phenyl-1,3-dioxolan-4-yl)methyl (9E,12E,15E)-octadeca-9,12,15-trienoate	90473607	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC1COC(O1)C2=CC=CC=C2	440.60	unknown	via CMAUP database
10,13-Octadecadienoic acid methyl ester	549045	Click to see CCCCC=CCC=CCCCCCCCCC(=O)OC	294.50	unknown	via CMAUP database
10,13-Octadecadienoic acid, methyl ester	5365678	Click to see CCCCC=CCC=CCCCCCCCCC(=O)OC	294.50	unknown	via CMAUP database
9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)-	9316	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OC	292.50	unknown	via CMAUP database
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
Methyl elaidolinolenate	5367462	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OC	292.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid	162876516	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)O	652.70	unknown	https://doi.org/10.1021/NP020188V
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid	162912920	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)O	490.50	unknown	https://doi.org/10.1021/NP020188V
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	22833595	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OC2C(C(C(C(O2)CO)O)O)O	652.70	unknown	https://doi.org/10.1055/S-2006-959527
1-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 16-O-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	162904345	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O	814.80	unknown	https://doi.org/10.1021/NP020188V
1-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 16-O-[[(1S,2S,3S,4R,5S)-2,3,4-trihydroxy-5-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)cyclohexyl]methyl] (2E,4E,6E,8Z,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	11972403	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OCC2CC(C(C(C2O)O)O)C3=C(C4=C(C=C3O)OC5=CC(=C(C=C5C4=O)O)O)O	892.90	unknown	via CMAUP database
1-O-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 16-O-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	56841542	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	977.00	unknown	via CMAUP database
1-O-methyl 16-O-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	163043179	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OC	504.60	unknown	https://doi.org/10.1021/NP020188V
1-O-methyl 16-O-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	163043178	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OC	504.60	unknown	https://doi.org/10.1021/NP020188V
beta-D-gentiobiosyl crocetin	10461942	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)O	652.70	unknown	https://doi.org/10.1055/S-2006-957633 https://doi.org/10.1021/NP020188V https://doi.org/10.1089/JOP.1999.15.143 https://doi.org/10.1021/JF9603487 https://doi.org/10.1055/S-2008-1047858 https://doi.org/10.1055/S-2006-949874 https://doi.org/10.1016/S0021-9673(98)00938-8
beta-D-glucosyl crocetin	10368299	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)O	490.50	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1055/S-2006-957633
bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6Z,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	101662426	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	977.00	unknown	https://doi.org/10.1021/JF9603487 https://doi.org/10.1366/0003702981944058
bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	162857619	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	977.00	unknown	https://doi.org/10.1021/JF950713E
Bis[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	3510570	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	977.00	unknown	https://doi.org/10.1207/S15327914NC352_4 https://doi.org/10.1366/0003702981944058 https://doi.org/10.1021/JF9603487
CID 24721245	24721245	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	977.00	unknown	via CMAUP database
Crocetin digentiobiosyl ester	44630212	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	977.00	unknown	https://doi.org/10.1021/JF000922L
Crocetin gentiobiosylglucosyl ester	9940690	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O	814.80	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1080/10575639708041197 https://doi.org/10.1055/S-2006-949874
Crocin	5281233	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O	977.00	unknown	https://doi.org/10.1055/S-2006-957633 https://doi.org/10.1207/S15327914NC352_4 https://doi.org/10.1007/BF02858789 https://doi.org/10.1016/J.PHYMED.2008.06.005 https://doi.org/10.1089/JOP.1999.15.143 https://doi.org/10.1016/0021-9673(93)83301-8 https://doi.org/10.1055/S-2006-959527 https://doi.org/10.1016/S0021-9673(99)00600-7 https://doi.org/10.1016/S0021-9673(98)00938-8 https://doi.org/10.1016/0304-3835(95)04067-6 https://doi.org/10.1016/0021-9673(92)85699-T https://doi.org/10.1002/(SICI)1099-1573(200005)14:3<149::AID-PTR665>3.0.CO;2-5 https://doi.org/10.1055/S-2006-949874 https://doi.org/10.1055/S-2006-962474 https://doi.org/10.1271/BBB1961.51.2395 https://doi.org/10.1111/J.1365-2621.1992.TB08079.X https://doi.org/10.1055/S-2008-1047858 https://doi.org/10.1002/(SICI)1099-1573(199809)12:6<400::AID-PTR321>3.0.CO;2-4 https://doi.org/10.1002/HLCA.19270100148 https://doi.org/10.1021/NP020188V https://doi.org/10.1007/S11418-009-0360-6 https://doi.org/10.1080/10575639708041197 https://doi.org/10.1016/B978-0-12-818638-1.00021-6 https://doi.org/10.1366/0003702981944058
Crocin 2	91746171	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O	814.80	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1016/S0021-9673(99)00600-7 https://doi.org/10.1055/S-2008-1047858 https://doi.org/10.1089/JOP.1999.15.143 https://doi.org/10.1016/S0021-9673(98)00938-8
Crocin 4	131752554	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OC	504.60	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1016/S0021-9673(99)00600-7 https://doi.org/10.1055/S-2008-1047858 https://doi.org/10.1089/JOP.1999.15.143 https://doi.org/10.1016/S0021-9673(98)00938-8
Crocin-4	101606290	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OC	504.60	unknown	https://doi.org/10.1021/NP020188V
Dicrocin	25244294	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OC2C(C(C(C(O2)CO)O)O)O	652.70	unknown	https://doi.org/10.1021/JF9603487 https://doi.org/10.1055/S-2006-957633
Mangicrocin	131751516	Click to see CC(=CC=CC=C(C)C=CC=C(C)OC(=O)CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC4=CC(=C(C=C4C3=O)O)O)O)O)O)O)C=CC=C(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O	894.90	unknown	https://doi.org/10.1002/CHIN.198934346
Tricrocin	22833598	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O	814.80	unknown	https://doi.org/10.1055/S-2006-959527
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
1,16-Dimethyl 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	78384707	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC)C=CC=C(C)C(=O)OC	356.50	unknown	https://doi.org/10.1016/S1386-1425(98)00024-9
16-Methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid	155888076	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC)C=CC=C(C)C(=O)O	342.40	unknown	https://doi.org/10.1021/NP020188V
2,6,11,15-Tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid	73245	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O	328.40	unknown	https://doi.org/10.1055/S-0030-1250178 https://doi.org/10.1007/S00425-004-1299-1
alpha-Crocetin	5458952	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O	328.40	unknown	https://doi.org/10.1021/NP020188V
beta-Crocetin	88311768	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC)C=CC=C(C)C(=O)O	342.40	unknown	https://doi.org/10.1021/NP020188V
Crocetin	5281232	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O	328.40	unknown	https://doi.org/10.1007/S00425-004-1299-1 https://doi.org/10.1055/S-2006-957633 https://doi.org/10.1055/S-2008-1047858 https://doi.org/10.1021/JF960861K https://doi.org/10.1021/JF000922L https://doi.org/10.1016/0021-9673(92)85699-T https://doi.org/10.1055/S-0030-1250178 https://doi.org/10.1248/BPB.31.1639 https://doi.org/10.1021/JF804041G https://doi.org/10.1002/(SICI)1099-1573(200005)14:3<149::AID-PTR665>3.0.CO;2-5 https://doi.org/10.1089/JOP.1999.15.143 https://doi.org/10.1016/S0021-9673(99)00600-7 https://doi.org/10.1016/S1386-1425(98)00024-9 https://doi.org/10.1021/NP020188V https://doi.org/10.1016/S0031-9422(00)82412-7 https://doi.org/10.1021/JF950713E
Crocetin dimethyl ester	5316132	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC)C=CC=C(C)C(=O)OC	356.50	unknown	https://doi.org/10.1016/0021-9673(94)80628-4 https://doi.org/10.1016/S1386-1425(98)00024-9
Crocetin(2-)	25244519	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)[O-])C=CC=C(C)C(=O)[O-]	326.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
(2E)-2,6-dimethylocta-2,7-diene-1,6-diol	5280678	Click to see CC(=CCCC(C)(C=C)O)CO	170.25	unknown	via CMAUP database
(2Z)-2,6-Dimethyl-2,7-octadiene-1,6-diol	5352452	Click to see CC(=CCCC(C)(C=C)O)CO	170.25	unknown	via CMAUP database
Geranylacetone	1549778	Click to see CC(=CCCC(=CCCC(=O)C)C)C	194.31	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
Cuminaldehyde	326	Click to see CC(C)C1=CC=C(C=C1)C=O	148.20	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(+)-alpha-Pinene	82227	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene	12223113	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
1-Hydroxymethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one	572679	Click to see CC1(C2CCC1(C(=O)C2)CO)C	168.23	unknown	via CMAUP database
alpha-Bergamotene	86608	Click to see CC1=CCC2CC1C2(C)CCC=C(C)C	204.35	unknown	via CMAUP database
alpha-PINENE	6654	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(+)-Isomenthone	70962	Click to see CC1CCC(C(=O)C1)C(C)C	154.25	unknown	via CMAUP database
Beta-Phellandrene	11142	Click to see CC(C)C1CCC(=C)C=C1	136.23	unknown	via CMAUP database
Isomenthone, (+/-)-	6432469	Click to see CC1CCC(C(=O)C1)C(C)C	154.25	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
p-Menth-4(8)-en-3-one	6988	Click to see CC1CCC(=C(C)C)C(=O)C1	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
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids
Chrysanthemic acid	2743	Click to see CC(=CC1C(C1(C)C)C(=O)O)C	168.23	unknown	via CMAUP database
Eucarvone	136330	Click to see CC1=CC=CC(CC1=O)(C)C	150.22	unknown	https://doi.org/10.1021/JF000922L
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-Longifolene	1201520	Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C	204.35	unknown	via CMAUP database
(+)-Longifolene	1796220	Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C	204.35	unknown	via CMAUP database
(1S,7S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane	10137	Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C	204.35	unknown	via CMAUP database
(E)-(+-)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one	24680	Click to see CC1=CCCC(C1C=CC(=O)C)(C)C	192.30	unknown	via CMAUP database
(E)-4-[(3S)-3-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one	13854911	Click to see CC1=C(C(CCC1O)(C)C)C=CC(=O)C	208.30	unknown	https://doi.org/10.1021/NP020188V
1-Methyl-4-(1-methylethylidene)-2-(1-methylvinyl)-1-vinylcyclohexane	94254	Click to see CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C	204.35	unknown	via CMAUP database
1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-	17751022	Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C	204.35	unknown	via CMAUP database
1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-, (1S,3aR,4S,8aS)-	16217634	Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C	204.35	unknown	via CMAUP database
2-Isopropenyl-1-methyl-4-(1-methylethylidene)-1-vinylcyclohexane	6432312	Click to see CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C	204.35	unknown	via CMAUP database
3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z)-	11264038	Click to see CC1=C(C(CCC1)(C)C)C=CC(C)O	194.31	unknown	via CMAUP database
3-Hydroxy-beta-ionone	5363700	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=O)C	208.30	unknown	https://doi.org/10.1021/NP020188V
4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-2-ol	519915	Click to see CC1=C(C(CCC1)(C)C)C=CC(C)O	194.31	unknown	via CMAUP database
4-(3-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one	54034727	Click to see CC1=C(C(CCC1O)(C)C)C=CC(=O)C	208.30	unknown	https://doi.org/10.1021/NP020188V
4-(3-Hydroxy-but-1-enyl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol	15628171	Click to see CC1=C(C(CC(C1O)O)(C)C)C=CC(C)O	226.31	unknown	via CMAUP database
alpha-Santalene	94164	Click to see CC(=CCCC1(C2CC3C1(C3C2)C)C)C	204.35	unknown	via CMAUP database
beta-Ionol	5373729	Click to see CC1=C(C(CCC1)(C)C)C=CC(C)O	194.31	unknown	via CMAUP database
beta-Ionone	638014	Click to see CC1=C(C(CCC1)(C)C)C=CC(=O)C	192.30	unknown	via CMAUP database
Dihydro-beta-ionone	519382	Click to see CC1=C(C(CCC1)(C)C)CCC(=O)C	194.31	unknown	via CMAUP database
Junipene	5489258	Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C	204.35	unknown	via CMAUP database
Longifolene	289151	Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
(1S,4S,4aS,6R,8aR)-decahydro-1,4-dimethyl-6-(prop-1-en-2-yl)naphthalen-1-ol	139584242	Click to see CC1CCC(C2C1CC(CC2)C(=C)C)(C)O	222.37	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1016/S1386-1425(98)00024-9 https://doi.org/10.1016/S0031-9422(00)82412-7 https://doi.org/10.1021/JF804041G
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
CID 46173863	46173863	Click to see CC1=CCCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C	246.30	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Triquinane sesquiterpenoids / Angular triquinanes
[(5R,6S,8R,9R,11R)-9-(1-hydroxyethenoxy)-5,7,7,11-tetramethyl-4-oxo-6-tricyclo[6.3.0.01,5]undec-2-enyl] (Z)-2-methylbut-2-enoate	163187497	Click to see CC=C(C)C(=O)OC1C(C2C(CC(C23C1(C(=O)C=C3)C)C)OC(=C)O)(C)C	374.50	unknown	https://doi.org/10.1021/JF950713E
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[(1Z,3Z,5E,7E,9Z,11E,13E,15Z)-4,7,12,15-tetramethyl-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1-[2,6,6-trimethyl-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]-18-[2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol	24883912	Click to see CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)C=C(C=C(C)C=CC(=CC=CC=C(C)C=CC(=CC(=CC3=C(CC(CC3(C)C)OC4C(C(C(C(O4)CO)O)O)O)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O	1573.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
4,8,12,16-Tetramethylheptadecan-4-olide	567149	Click to see CC(C)CCCC(C)CCCC(C)CCCC1(CCC(=O)O1)C	324.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
(12E,14E,16Z,18E,20E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,12,14,16,18,20,30-heptaene	16061225	Click to see CC(CCCC(C)CC=CC(=CC=CC=C(C)C=CCC(C)CCCC(C)CCC=C(C)C)C)CCC=C(C)C	549.00	unknown	via CMAUP database
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene	152743364	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	https://doi.org/10.1016/S0031-9422(00)82412-7
15-cis-Phytoene	9963391	Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	544.90	unknown	via CMAUP database
2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene	94171	Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	542.90	unknown	https://doi.org/10.1016/S0031-9422(00)82412-7
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	https://doi.org/10.1016/S0031-9422(00)82412-7
CID 156047	156047	Click to see CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	540.90	unknown	https://doi.org/10.1016/S0031-9422(00)82412-7
CID 91470	91470	Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	544.90	unknown	https://doi.org/10.1016/S0031-9422(00)82412-7
Phytoene	5280784	Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	544.90	unknown	https://doi.org/10.1016/S0031-9422(00)82412-7
Phytofluene	6436722	Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	542.90	unknown	https://doi.org/10.1016/S0031-9422(00)82412-7
zeta-Carotene	5280788	Click to see CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	540.90	unknown	https://doi.org/10.1016/S0031-9422(00)82412-7
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
Zeaxanthin	5280899	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C	568.90	unknown	https://doi.org/10.1016/S0031-9422(00)82412-7
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
Stigmasteryl ferulate	15056831	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C)C(C)C	588.90	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1055/S-2006-949874
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Estrane steroids / Estrogens and derivatives
6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-1-[[4-[2-(13-ethyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethynyl]phenyl]methoxymethyl]pyrimidine-2,4-dione	49769955	Click to see CCC1=C(N(C(=O)NC1=O)COCC2=CC=C(C=C2)C#CC3(CCC4C3(CCC5C4CCC6=CC(=O)CCC56)CC)O)CC7=CC(=CC(=C7)C)C	688.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
(2R,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol	53384936	Click to see CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O	1049.20	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5R)-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	11870456	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
Stigmasterol	5280794	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.3109/13880209.2010.547206
> Nucleosides, nucleotides, and analogues / Purine nucleosides
2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol	191	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	https://doi.org/10.1248/CPB.50.1305 https://doi.org/10.1021/NP0302854 https://doi.org/10.1055/S-1999-14020 https://doi.org/10.1021/NP020188V
9-alpha-Ribofuranosyladenine	448378	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	https://doi.org/10.1021/NP0302854
Adenosine	60961	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	https://doi.org/10.1055/S-1999-14020 https://doi.org/10.1021/NP0302854 https://doi.org/10.1002/CHIN.200313168 https://doi.org/10.1021/NP020188V https://doi.org/10.1248/CPB.50.1305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
Acetic acid, (Z)-	9904352	Click to see CCN1C(=CC(=O)OCC)SC(C1=O)N2CCCCC2	298.40	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
2-Azaniumylhexanoate	517543	Click to see CCCCC(C(=O)[O-])[NH3+]	131.17	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
2-Ethyl-1,3-dimethylcyclopent-2-enecarboxylic acid	579266	Click to see CCC1=C(CCC1(C)C(=O)O)C	168.23	unknown	via CMAUP database
Hydron;acetate	21980959	Click to see [H+].CC(=O)[O-]	60.05	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Pentacarboxylic acids and derivatives
[6-Acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-4,7-bis(3-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] 2-methylbut-2-enoate	163037917	Click to see CC=C(C)C(=O)OC1C(C2C(=C1C)C3C(C(CC2(C)OC(=O)C)OC(=O)C=C(C)C)(C(C(=O)O3)(C)O)O)OC(=O)C=C(C)C	618.70	unknown	https://doi.org/10.1021/NP0302854
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
3-Hydroxy-3-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)propanoic acid	22297515	Click to see CC1=C(C(CC(C1)O)(C)C)C(CC(=O)O)O	228.28	unknown	https://doi.org/10.1021/NP020188V
3,4-Dihydroxybutanoic acid	150929	Click to see C(C(CO)O)C(=O)O	120.10	unknown	https://doi.org/10.1021/NP0302854
Crocusatin H	637013	Click to see CC1=C(C(CC(C1)O)(C)C)C(CC(=O)O)O	228.28	unknown	https://doi.org/10.1021/NP020188V
> Organic acids and derivatives / Vinylogous acids
2,4,4-Trimethyl-3-carboxaldehyde-5-hydroxy-2,5-cyclohexadiene-1-one	91753280	Click to see CC1=C(C(C(=O)C=C1O)(C)C)C=O	180.20	unknown	via CMAUP database
> Organic oxygen compounds / Organic oxides
2,2-Dimethylcyclohexane-1-carbaldehyde	13493680	Click to see CC1(CCCCC1C=O)C	140.22	unknown	via CMAUP database
2,6,6-Trimethyl-1,4-cyclohexadiene-1-carboxaldehyde	11819211	Click to see CC1=C(C(C=CC1)(C)C)C=O	150.22	unknown	via CMAUP database
6,6-Dimethyl-2-methylidenecyclohex-3-ene-1-carbaldehyde	15715941	Click to see CC1(CC=CC(=C)C1C=O)C	150.22	unknown	via CMAUP database
beta-Cyclocitral	9895	Click to see CC1=C(C(CCC1)(C)C)C=O	152.23	unknown	via CMAUP database
Safranal	61041	Click to see CC1=C(C(CC=C1)(C)C)C=O	150.22	unknown	https://doi.org/10.1016/B978-0-12-818638-1.00021-6 https://doi.org/10.1021/JF940665I https://doi.org/10.1016/S0021-9673(98)00938-8 https://doi.org/10.1055/S-2008-1047858 https://doi.org/10.1016/0021-9673(94)80628-4 https://doi.org/10.1016/0304-3835(95)04067-6 https://doi.org/10.1021/JF000922L https://doi.org/10.1016/0021-9673(92)85699-T https://doi.org/10.1007/BF02858789 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4143034/ https://doi.org/10.1271/BBB1961.51.2395
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclic alcohols and derivatives
trans-3(10)-Caren-2-ol	572861	Click to see CC1(C2C1C(C(=C)CC2)O)C	152.23	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Polyols / 1,2-diols
(4R,5R)-4,5-dihydroxy-2,6,6-trimethylcyclohexene-1-carbaldehyde	641786	Click to see CC1=C(C(C(C(C1)O)O)(C)C)C=O	184.23	unknown	https://doi.org/10.1021/NP0302854
4,5-Dihydroxy-2,6,6-trimethylcyclohexene-1-carbaldehyde	22298426	Click to see CC1=C(C(C(C(C1)O)O)(C)C)C=O	184.23	unknown	https://doi.org/10.1021/NP0302854
Crocusatin J	11183031	Click to see CC1=C(C(C(C(C1)O)O)(C)C)C=O	184.23	unknown	https://doi.org/10.1021/NP0302854
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
1-Pentanol	6276	Click to see CCCCCO	88.15	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]hexadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol	29921731	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC=CC=CC=CC=CC=CC=CC=CC2=C(CC(CC2(C)C)O)C	486.70	unknown	via CMAUP database
(1S)-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-3-en-1-ol	130742583	Click to see CC1=C(C(CC(C1)O)(C)C)CO	170.25	unknown	https://doi.org/10.1021/NP020188V
(5R)-5-hydroxy-2,3,3-trimethylcyclohexene-1-carboxylic acid	9989926	Click to see CC1=C(CC(CC1(C)C)O)C(=O)O	184.23	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1248/CPB.50.1305
(R)-(-)-2-Hexanol	6993810	Click to see CCCCC(C)O	102.17	unknown	via CMAUP database
(R)-(-)-2-Pentanol	7014876	Click to see CCCC(C)O	88.15	unknown	via CMAUP database
(S)-(+)-2-Hexanol	638097	Click to see CCCCC(C)O	102.17	unknown	via CMAUP database
(S)-(+)-2-Pentanol	2724896	Click to see CCCC(C)O	88.15	unknown	via CMAUP database
1-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-one	10921468	Click to see CCC(=O)C1=C(CC(CC1(C)C)O)C	196.29	unknown	https://doi.org/10.1021/NP020188V
2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-, (S)-	12225760	Click to see CC1=C(C(=O)CC1O)CC=C	152.19	unknown	via CMAUP database
2-Hexanol	12297	Click to see CCCCC(C)O	102.17	unknown	via CMAUP database
2-Pentanol	22386	Click to see CCCC(C)O	88.15	unknown	via CMAUP database
3-(But-1-enyl)-2,4,4-trimethylcyclohex-2-en-1-ol	15715946	Click to see CCC=CC1=C(C(CCC1(C)C)O)C	194.31	unknown	via CMAUP database
3-Hydroxy-7,8-dihydro-beta-ionol	519379	Click to see CC1=CC(CC(C1C#CC(C)O)(C)C)O	208.30	unknown	via CMAUP database
3,5,5-Trimethyl-2-cyclohexen-1-ol	79016	Click to see CC1=CC(CC(C1)(C)C)O	140.22	unknown	via CMAUP database
3,5,5-Trimethyl-2-cyclohexen-1-ol, (1S)-	6999727	Click to see CC1=CC(CC(C1)(C)C)O	140.22	unknown	via CMAUP database
4-(Hydroxymethyl)-3,5,5-trimethylcyclohex-3-en-1-ol	14077867	Click to see CC1=C(C(CC(C1)O)(C)C)CO	170.25	unknown	https://doi.org/10.1021/NP020188V
4-Ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol	91753281	Click to see CC1=C(C(CC(C1)O)(C)C)C=C	166.26	unknown	via CMAUP database
5-Hydroxy-2,3,3-trimethylcyclohexene-1-carboxylic acid	85085390	Click to see CC1=C(CC(CC1(C)C)O)C(=O)O	184.23	unknown	https://doi.org/10.1248/CPB.50.1305
Allethrolone	11083	Click to see CC1=C(C(=O)CC1O)CC=C	152.19	unknown	via CMAUP database
Awebwmvkwdsyss-uhfffaoysa-	21591948	Click to see CCC(=O)C1=C(CC(CC1(C)C)O)C	196.29	unknown	https://doi.org/10.1021/NP020188V
Isophorol, (+)-	6992208	Click to see CC1=CC(CC(C1)(C)C)O	140.22	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
3-(But-1-enyl)-2,4,4-trimethylcyclohexan-1-ol	15715953	Click to see CCC=CC1C(C(CCC1(C)C)O)C	196.33	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
2-Methyl-2-butanol	6405	Click to see CCC(C)(C)O	88.15	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carbaldehyde	154497220	Click to see CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)C=O	330.37	unknown	https://doi.org/10.1021/NP0302854
(4R)-3,5,5-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-one	101706276	Click to see CC1=CC(=O)CC(C1OC2C(C(C(C(O2)CO)O)O)O)(C)C	316.35	unknown	https://doi.org/10.1080/10575639708041197
(4S)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carbaldehyde	162985374	Click to see CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)C=O	330.37	unknown	https://doi.org/10.1021/NP020188V
(4S)-3,5,5-Trimethyl-4-(beta-D-glucopyranosyloxy)-2-cyclohexen-1-one	101706277	Click to see CC1=CC(=O)CC(C1OC2C(C(C(C(O2)CO)O)O)O)(C)C	316.35	unknown	https://doi.org/10.1080/10575639708041197
(4S)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one	124300848	Click to see C1C(COC1=O)OC2C(C(C(C(O2)CO)O)O)O	264.23	unknown	https://doi.org/10.1055/S-1999-14020
(4S)-4-[(I(2)-D-Glucopyranosyloxy)methyl]-3,5,5-trimethyl-2-cyclohexen-1-one	95789921	Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)CO)O)O)O)(C)C	330.37	unknown	https://doi.org/10.1080/10575639708041197
(R)-2,6,6-Trimethyl-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)cyclohex-1-enecarbaldehyde	12314251	Click to see CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)C=O	330.37	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1021/NP0302854 https://doi.org/10.1055/S-2006-949874 https://doi.org/10.1021/JF980119F
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E)-2-methyl-6-oxohepta-2,4-dienoate	101395126	Click to see CC(=O)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O	478.40	unknown	https://doi.org/10.1080/10575639708041197
[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2-methyl-6-oxohepta-2,4-dienoate	163043748	Click to see CC(=O)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O	478.40	unknown	https://doi.org/10.1080/10575639708041197
2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol	4984739	Click to see C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O	270.28	unknown	https://doi.org/10.1021/JF980119F
2-phenylethyl beta-D-glucopyranoside	468284	Click to see C1=CC=C(C=C1)CCOC2C(C(C(C(O2)CO)O)O)O	284.30	unknown	https://doi.org/10.1021/JF980119F
3-(hydroxymethyl)-2,4,4-trimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-one	100914023	Click to see CC1=C(C(C=C(C1=O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)CO	344.36	unknown	https://doi.org/10.1021/NP0302854 https://doi.org/10.1021/JF980119F
3-(Hydroxymethyl)-2,4,4-trimethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-one	162998702	Click to see CC1=C(C(C=C(C1=O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)CO	344.36	unknown	https://doi.org/10.1021/NP0302854 https://doi.org/10.1021/JF980119F
3-Hydroxy-4-butanolide	72569818	Click to see C1C(COC1=O)OC2C(C(C(C(O2)CO)O)O)O	264.23	unknown	https://doi.org/10.1021/JF980119F https://doi.org/10.1055/S-1999-14020
3,5,5-Trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-one	162999119	Click to see CC1=CC(=O)CC(C1OC2C(C(C(C(O2)CO)O)O)O)(C)C	316.35	unknown	https://doi.org/10.1080/10575639708041197
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one	146636843	Click to see C1C(COC1=O)OC2C(C(C(C(O2)CO)O)O)O	264.23	unknown	https://doi.org/10.1055/S-1999-14020
4-methoxy-1-methyl-5-[(2R,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]oxypyridin-2-one	162865159	Click to see CN1C=C(C(=CC1=O)OC)OC2C(C(C(C(O2)O)O)O)O	303.26	unknown	https://doi.org/10.1021/JF9603487
Benzyl beta-d-glucopyranoside	188977	Click to see C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O	270.28	unknown	https://doi.org/10.1021/JF980119F
CID 22833654	22833654	Click to see CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)C=O	330.37	unknown	via CMAUP database
Epijasminoside A	76551288	Click to see CC1=CC(=O)CC(C1COC2C(C(C(C(O2)CO)O)O)O)(C)C	330.37	unknown	https://doi.org/10.1080/10575639708041197
Goodyeroside	10445498	Click to see C1C(COC1=O)OC2C(C(C(C(O2)CO)O)O)O	264.23	unknown	https://doi.org/10.1021/JF980119F
Kinsenoside	10422896	Click to see C1C(COC1=O)OC2C(C(C(C(O2)CO)O)O)O	264.23	unknown	https://doi.org/10.1021/JF980119F
Phenylethyl beta-D-glucopyranoside	11289099	Click to see C1=CC=C(C=C1)CCOC2C(C(C(C(O2)CO)O)O)O	284.30	unknown	https://doi.org/10.1021/JF980119F
Picrocrocin	130796	Click to see CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)C=O	330.37	unknown	https://doi.org/10.1021/NP0302854 https://doi.org/10.1021/JF980119F https://doi.org/10.1016/0021-9673(94)80628-4 https://doi.org/10.1271/BBB1961.51.2395 https://doi.org/10.1016/0304-3835(95)04067-6 https://doi.org/10.1016/J.FOODCHEM.2005.11.020 https://doi.org/10.1021/NP020188V https://doi.org/10.1007/BF02858789 https://doi.org/10.1055/S-2006-962474 https://doi.org/10.1016/0021-9673(92)85699-T https://doi.org/10.1055/S-2008-1047858 https://doi.org/10.1016/0021-9673(93)83301-8 https://doi.org/10.1111/J.1365-2621.1992.TB08079.X https://doi.org/10.1055/S-2006-949874 https://doi.org/10.1016/S0021-9673(98)00938-8
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
1-[2,4-dihydroxy-6-methoxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone	163017230	Click to see CC(=O)C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)OC	360.31	unknown	https://doi.org/10.1055/S-1999-14020
1-[2,4-Dihydroxy-6-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone	131751774	Click to see CC(=O)C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)OC	360.31	unknown	https://doi.org/10.1055/S-1999-14020
1-[4-hydroxy-2-methoxy-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone	163189513	Click to see CC(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)OC	344.31	unknown	https://doi.org/10.1055/S-1999-14020
4',6'-Dihydroxy-2'-methoxyacetophenone 6'-glucoside	131751630	Click to see CC(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)OC	344.31	unknown	https://doi.org/10.1055/S-1999-14020
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxybenzoate	14132341	Click to see C1=CC(=CC=C1C(=O)OC2C(C(C(C(O2)CO)O)O)O)O	300.26	unknown	https://doi.org/10.1248/CPB.50.1305
1-(4-Hydroxybenzoyl)glucose	14132342	Click to see C1=CC(=CC=C1C(=O)OC2C(C(C(C(O2)CO)O)O)O)O	300.26	unknown	https://doi.org/10.1248/CPB.50.1305
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Pentoses
(2S,3R,4S,5R)-5-(hydroxymethyl)(2,3-13C2)oxolane-2,3,4-triol	11959768	Click to see C(C1C(C(C(O1)O)O)O)O	152.12	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
1-O-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate	101924085	Click to see CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O)C=CC=C(C)C(=O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O	1139.10	unknown	https://doi.org/10.1016/S0021-9673(98)00938-8
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
Isovaleraldehyde	11552	Click to see CC(C)CC=O	86.13	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
5-Hydroxymethylfurfural	237332	Click to see C1=C(OC(=C1)C=O)CO	126.11	unknown	via CMAUP database
5-Methylfurfural	12097	Click to see CC1=CC=C(O1)C=O	110.11	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
(Z)-2-hexenal	6428782	Click to see CCCC=CC=O	98.14	unknown	via CMAUP database
2-Hexenal	5281168	Click to see CCCC=CC=O	98.14	unknown	via CMAUP database
2-Isopropylidene-3-methyl-3,5-hexadienal	5368460	Click to see CC(=C(C=O)C(=CC=C)C)C	150.22	unknown	via CMAUP database
Heptanal	8130	Click to see CCCCCCC=O	114.19	unknown	via CMAUP database
Hexanal	6184	Click to see CCCCCC=O	100.16	unknown	via CMAUP database
Nonanal	31289	Click to see CCCCCCCCC=O	142.24	unknown	via CMAUP database
Octanal	454	Click to see CCCCCCCC=O	128.21	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Short-chain aldehydes
(S)-2-methylbutanal	6971249	Click to see CCC(C)C=O	86.13	unknown	via CMAUP database
2-Methylbutyraldehyde	7284	Click to see CCC(C)C=O	86.13	unknown	via CMAUP database
Isobutyraldehyde	6561	Click to see CC(C)C=O	72.11	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals
(2Z)-2,4-dimethyl-2-pentenal	10887860	Click to see CC(C)C=C(C)C=O	112.17	unknown	via CMAUP database
3-Methyl-2-butenal	61020	Click to see CC(=CC=O)C	84.12	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
(3Z)-6-methylhepta-3,5-dien-2-one	12510894	Click to see CC(=CC=CC(=O)C)C	124.18	unknown	via CMAUP database
1-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one	6420999	Click to see CC=CC(=O)C1=C(CC(CC1(C)C)O)C	208.30	unknown	via CMAUP database
3-Hydroxy-beta-damascone	5366075	Click to see CC=CC(=O)C1=C(C(CCC1(C)C)O)C	208.30	unknown	via CMAUP database
6-Methyl-3,5-heptadien-2-one	5370101	Click to see CC(=CC=CC(=O)C)C	124.18	unknown	via CMAUP database
Phorone	10438	Click to see CC(=CC(=O)C=C(C)C)C	138.21	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones / Aryl alkyl ketones
2-Acetylfuran	14505	Click to see CC(=O)C1=CC=CO1	110.11	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
2-(1-Methylethylidene)cyclohexanone	26252	Click to see CC(=C1CCCCC1=O)C	138.21	unknown	via CMAUP database
2,2,6-Trimethylcyclohexane-1,4-dione	30181	Click to see CC1CC(=O)CC(C1=O)(C)C	154.21	unknown	via CMAUP database
3,3,4,5-Tetramethylcyclohexan-1-one	89211994	Click to see CC1CC(=O)CC(C1C)(C)C	154.25	unknown	via CMAUP database
3,5,5-Trimethyl-2-cyclopenten-1-one	32240	Click to see CC1=CC(=O)C(C1)(C)C	124.18	unknown	via CMAUP database
4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde	15715950	Click to see CC1=C(C(C=C(C1=O)O)(C)C)C=O	180.20	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1021/NP0302854 https://doi.org/10.1248/CPB.50.1305
4,4-Dimethyl-2-cyclopenten-1-one	140955	Click to see CC1(CC(=O)C=C1)C	110.15	unknown	via CMAUP database
6-Hydroxy-3-(hydroxymethyl)-2,4,4-trimethylcyclohexa-2,5-dien-1-one	23244089	Click to see CC1=C(C(C=C(C1=O)O)(C)C)CO	182.22	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1021/NP0302854
Cyclohexanone	7967	Click to see C1CCC(=O)CC1	98.14	unknown	via CMAUP database
Cyclopentanone	8452	Click to see C1CCC(=O)C1	84.12	unknown	via CMAUP database
Levodione	10176229	Click to see CC1CC(=O)CC(C1=O)(C)C	154.21	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
(2S)-2-hydroxy-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-3-en-1-one	162984420	Click to see CC1=C(C(CC(=O)C1O)(C)C)CO	184.23	unknown	https://doi.org/10.1021/NP0302854
(4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-one	10419390	Click to see CC1=CC(CC(C1=O)(C)C)O	154.21	unknown	https://doi.org/10.1248/CPB.50.1305
(4s)-4-Hydroxy-3,5,5-trimethylcyclohex-2-enone	11367121	Click to see CC1=CC(=O)CC(C1O)(C)C	154.21	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1021/NP0302854 https://doi.org/10.1248/CPB.50.1305
(4S)-4-hydroxy-4,6,6-trimethylcyclohex-2-en-1-one	154496025	Click to see CC1(CC(C=CC1=O)(C)O)C	154.21	unknown	https://doi.org/10.1021/NP0302854
(R)-Hydroxyisophorone	58913839	Click to see CC1=CC(=O)CC(C1O)(C)C	154.21	unknown	https://doi.org/10.1021/NP020188V
2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene-	641351	Click to see CC1=CC(=O)CC(C1=C)(C)C	150.22	unknown	via CMAUP database
2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one	551084	Click to see CC1=C(C(=O)CC(C1)(C)C)O	154.21	unknown	via CMAUP database
2-Hydroxy-3,5,5-trimethyl-4-methylenecyclohex-2-en-1-one	15715943	Click to see CC1=C(C(=O)CC(C1=C)(C)C)O	166.22	unknown	via CMAUP database
2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione	37246	Click to see CC1=C(C(=O)CC(C1=O)(C)C)O	168.19	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1248/CPB.50.1305
2,6,6-Trimethylcyclohex-2-ene-1,4-dione	62374	Click to see CC1=CC(=O)CC(C1=O)(C)C	152.19	unknown	via CMAUP database
4-(Hydroxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one	85401037	Click to see CC1=CC(=O)CC(C1CO)(C)C	168.23	unknown	https://doi.org/10.1021/NP0302854 https://doi.org/10.1248/CPB.50.1305
4-Hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-ene-1-carboxaldehyde	15715949	Click to see CC1=C(C(CC(C1=O)O)(C)C)C=O	182.22	unknown	via CMAUP database
4-Hydroxy-2,6,6-trimethylcyclohex-2-en-1-one	89193	Click to see CC1=CC(CC(C1=O)(C)C)O	154.21	unknown	https://doi.org/10.1248/CPB.50.1305
4-Hydroxy-3,5,5-Trimethylcyclohex-2-Enone	566734	Click to see CC1=CC(=O)CC(C1O)(C)C	154.21	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1021/NP0302854 https://doi.org/10.1248/CPB.50.1305
6-Hydroxy-3-(hydroxymethyl)-2,4,4-trimethylcyclohex-2-en-1-one	85385397	Click to see CC1=C(C(CC(C1=O)O)(C)C)CO	184.23	unknown	https://doi.org/10.1021/NP0302854 https://doi.org/10.1248/CPB.50.1305
Beta-Isophorone	10108	Click to see CC1=CC(CC(=O)C1)(C)C	138.21	unknown	https://doi.org/10.1021/NP0302854 https://doi.org/10.1248/CPB.50.1305
Crocusatin C	11105753	Click to see CC1=CC(=O)CC(C1CO)(C)C	168.23	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1021/NP0302854 https://doi.org/10.1248/CPB.50.1305
Crocusatin D	11063077	Click to see CC1=C(C(CC(C1=O)O)(C)C)CO	184.23	unknown	https://doi.org/10.1021/NP0302854 https://doi.org/10.1248/CPB.50.1305
Crocusatin L	10419872	Click to see CC1=C(C(CC(=O)C1O)(C)C)CO	184.23	unknown	https://doi.org/10.1021/NP0302854
Isophorone	6544	Click to see CC1=CC(=O)CC(C1)(C)C	138.21	unknown	https://doi.org/10.1055/S-2008-1047858
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
4-Penten-2-one, 4-methyl-	19543	Click to see CC(=C)CC(=O)C	98.14	unknown	via CMAUP database
6-Methyl-5-hepten-2-one	9862	Click to see CC(=CCCC(=O)C)C	126.20	unknown	via CMAUP database
6-Methylheptan-2-one	13572	Click to see CC(C)CCCC(=O)C	128.21	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ethers / Alkyl aryl ethers
5-Methoxyfuran-2-carbaldehyde	6208	Click to see COC1=CC=C(O1)C=O	126.11	unknown	https://doi.org/10.1021/NP020188V
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
Bicyclo[3.2.0]hept-2-ene, 4-ethoxy-, endo-	557661	Click to see CCOC1C=CC2C1CC2	138.21	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzodioxoles
CID 10487440	10487440	Click to see C=CCC1=CC2=C(C=C1)OCO2	174.14	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzofurans
7,7a-Dimethyl-3a,4,5,7a-tetrahydro-3H-benzofuran-2-one	539813	Click to see CC1=CCCC2C1(OC(=O)C2)C	166.22	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzofurans / Benzofuranones
5-hydroxy-3-[9-(2-hydroxy-5-methyloxolan-2-yl)nonyl]-7-methoxy-3H-2-benzofuran-1-one	14488657	Click to see CC1CCC(O1)(CCCCCCCCCC2C3=C(C(=CC(=C3)O)OC)C(=O)O2)O	406.50	unknown	https://doi.org/10.1021/NP020188V
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthenes
Erythrosin B	3259	Click to see C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I	835.90	unknown	via CMAUP database
Erythrosine	12961638	Click to see C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.[Na+].[Na+]	879.90	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones
Norathyriol	5281656	Click to see C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)O)O	260.20	unknown	via CMAUP database
> Organoheterocyclic compounds / Diazines / Pyrazines
2-Isobutyl-3,5,6-trimethylpyrazine	521191	Click to see CC1=C(N=C(C(=N1)C)CC(C)C)C	178.27	unknown	via CMAUP database
2,3,5-Trimethylpyrazine	26808	Click to see CC1=CN=C(C(=N1)C)C	122.17	unknown	via CMAUP database
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Hydroxypyrimidines
5-methylpyrimidine-2,4-diol	5274265	Click to see CC1=CN=C(N=C1O)O	126.11	unknown	via CMAUP database
Thymine	1135	Click to see CC1=CNC(=O)NC1=O	126.11	unknown	https://doi.org/10.1248/CPB.50.1305 https://doi.org/10.1002/CHIN.200313168 https://doi.org/10.1021/NP020188V
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidones
Uracil	1174	Click to see C1=CNC(=O)NC1=O	112.09	unknown	https://doi.org/10.1248/CPB.50.1305 https://doi.org/10.1021/NP020188V https://doi.org/10.1002/CHIN.200313168
> Organoheterocyclic compounds / Dihydrofurans / Furanones
2,4-Dihydroxy-2,5-dimethyl-3(2H)-furanone	538757	Click to see CC1=C(C(=O)C(O1)(C)O)O	144.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
2(5H)-Furanone	10341	Click to see C1C=CC(=O)O1	84.07	unknown	via CMAUP database
> Organoheterocyclic compounds / Furopyrans
(4aR,7aR)-4,4,7a-trimethyl-4a,5-dihydro-3H-furo[3,4-b]pyran-2,7-dione	11095589	Click to see CC1(CC(=O)OC2(C1COC2=O)C)C	198.22	unknown	https://doi.org/10.1021/NP020188V
4,4,7a-trimethyl-4a,5-dihydro-3H-furo[3,4-b]pyran-2,7-dione	85397332	Click to see CC1(CC(=O)OC2(C1COC2=O)C)C	198.22	unknown	https://doi.org/10.1021/NP020188V
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Pentylfuran	19602	Click to see CCCCCC1=CC=CO1	138.21	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolines
methyl (1S,3R,4S,9S,11S,14S,15S,18R)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadecane-18-carboxylate	162996848	Click to see CCC1CN(C2CC3C4CCCCC4NC3C(=O)CC1C2C(=O)OC)C	362.50	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1080/10575639708041197 https://doi.org/10.1055/S-2006-949874
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
2(3H)-Furanone, dihydro-4-hydroxy-	95652	Click to see C1C(COC1=O)O	102.09	unknown	https://doi.org/10.3109/13880209.2010.547206
> Organoheterocyclic compounds / Oxepanes
beta-Ionone epoxide	5352481	Click to see CC(=O)C=CC12C(CCCC1(O2)C)(C)C	208.30	unknown	via CMAUP database
Isophorone oxide	25121	Click to see CC1(CC(=O)C2C(C1)(O2)C)C	154.21	unknown	via CMAUP database
> Organoheterocyclic compounds / Pteridines and derivatives / Alloxazines and isoalloxazines / Flavins
Riboflavin	493570	Click to see CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O	376.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives
Maltol	8369	Click to see CC1=C(C(=O)C=CO1)O	126.11	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives / Dihydropyranones
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one	119838	Click to see CC1=C(C(=O)C(CO1)O)O	144.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives
3-Pyridinemethanol	7510	Click to see C1=CC(=CN=C1)CO	109.13	unknown	https://doi.org/10.1021/NP020188V https://doi.org/10.1248/CPB.50.1305 https://doi.org/10.1002/CHIN.200313168
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxamides / Nicotinamides
Nicotinamide	936	Click to see C1=CC(=CN=C1)C(=O)N	122.12	unknown	https://doi.org/10.1248/CPB.50.1305 https://doi.org/10.1002/CHIN.200313168 https://doi.org/10.1021/NP0302854
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives
2-hydroxy-2-methyl-N-[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]propanamide	162854059	Click to see CC(C)(C(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2)O	302.37	unknown	https://doi.org/10.1021/JF4057023
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
4-Hydroxycinnamic acid	322	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1021/NP0302854
Caffeic Acid	689043	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	via CMAUP database
cis-Caffeic acid	1549111	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	via CMAUP database
cis-Sinapic acid	1549091	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	via CMAUP database
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1021/NP0302854
Sinapinic acid	637775	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens
7H-Furo(3,2-g)(1)benzopyran-7-one, 6-(1,1-dimethyl-2,3-dihydro-2-propenyl)-2-(1-hydroxy-1-methylethyl)-, (+-)-	446619	Click to see CC(C)(C=C)C1=CC2=CC3=C(C=C2OC1=O)OC(=C3)C(C)(C)O	312.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one	667495	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	https://doi.org/10.1055/S-2008-1074498
5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one	932	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	https://doi.org/10.1055/S-2008-1074498
Naringenin	439246	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-4-one	15959354	Click to see C1C(C(C(C(C1OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O)CO	462.40	unknown	via CMAUP database
Apigenin	5280443	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	270.24	unknown	via CMAUP database
Kaempferol oxoanion	25202062	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-])O	285.23	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
3-Gentiobiosyl-kaempferol	129848131	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)C4(C(C(C(OC4O)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O)O	626.50	unknown	https://doi.org/10.1016/S0021-9673(98)00938-8
Kaempferide	5281666	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O	300.26	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/10.1002/CHIN.200313168 https://doi.org/10.1055/S-2008-1074498 https://doi.org/10.1021/NP0302854 https://doi.org/10.1021/JF990201Q https://doi.org/10.1248/CPB.50.1305
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	via CMAUP database
Quercetin	5280343	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	302.23	unknown	via CMAUP database
Rhamnetin	5281691	Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O	316.26	unknown	https://doi.org/10.1055/S-2008-1074498
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanidin 5-O-p-coumaroyl glycosides / Anthocyanidin 5-O-6-p-coumaroyl glycosides
[(3S,4S,6S)-6-[5-[5-[(2S,4S,5S)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate	57126444	Click to see C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3O)O)C4=C(C=C5C(=CC(=CC5=[O+]4)O)OC6C(C(C(C(O6)COC(=O)C=CC7=CC(=C(C=C7)O)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)O	1113.90	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
Delphinidin 3-O-glucoside cation	443650	Click to see C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O	465.40	unknown	via CMAUP database
Petunidin 3-glucoside	443651	Click to see COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O	479.40	unknown	via CMAUP database
Petunidin 3-monoglucoside	176449	Click to see COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-]	514.90	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid 3-O-p-coumaroyl glycosides
[(2R,3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate	44259193	Click to see C1=CC(=CC=C1C=CC(=O)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	610.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate	162865216	Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O	652.60	unknown	https://doi.org/10.1021/NP0302854
2''-(6-Acetylglucosyl)astragalin	131752828	Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O	652.60	unknown	https://doi.org/10.1021/NP0302854
3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one	10371538	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O	610.50	unknown	via CMAUP database
3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one	13647412	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O	610.50	unknown	https://doi.org/10.1021/NP0302854
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	20055286	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O	594.50	unknown	via CMAUP database
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	24211973	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O	594.50	unknown	via CMAUP database
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	5462193	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	448.40	unknown	https://doi.org/10.1021/NP0302854
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one	12313332	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O	594.50	unknown	via CMAUP database
6''-O-Acetylastragalin	10435673	Click to see CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O	490.40	unknown	https://doi.org/10.1021/NP0302854
Astragalin	5282102	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	448.40	unknown	https://doi.org/10.1021/NP0302854 https://doi.org/10.1021/JF4057023
Isoquercetin	5280804	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	via CMAUP database
Isorhamnetin 3-galactoside	13245586	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	478.40	unknown	https://doi.org/10.1248/CPB.50.1305
isorhamnetin 3-O-glucoside	5318645	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	478.40	unknown	https://doi.org/10.1248/CPB.50.1305
Isorhamnetin 3-O-robinobioside	5491808	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)OC)O)O)O)O)O)O	624.50	unknown	via CMAUP database
Kaempferol 3-(6-acetylgalactoside)	74978029	Click to see CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O	490.40	unknown	https://doi.org/10.1021/NP0302854
Kaempferol-3-O-rutinoside	5318767	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O	594.50	unknown	via CMAUP database
Quosp	5282166	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)OC5C(C(C(C(O5)CO)O)O)O)O)O	626.50	unknown	https://doi.org/10.1021/JF4057023
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	via CMAUP database
Sophoraflavonoloside	5282155	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O	610.50	unknown	https://doi.org/10.1021/NP0302854 https://doi.org/10.1016/J.FOODCHEM.2005.09.065 https://doi.org/10.1021/JF4057023
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
(2S)-7-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one	6710627	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
(2S)-7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one	5351463	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}oxan-2-yl)methyl acetate	73822539	Click to see CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O	652.60	unknown	https://doi.org/10.1021/NP0302854
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxyoxan-2-yl]methyl acetate	21676292	Click to see CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O	652.60	unknown	https://doi.org/10.1021/NP0302854
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate	162962856	Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O)O	814.70	unknown	https://doi.org/10.1021/NP0302854
[6-[4,5-Dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate	162962855	Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O)O	814.70	unknown	https://doi.org/10.1021/NP0302854
4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)-	5284651	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-	4441	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)-	91740219	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one	13647408	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O	610.50	unknown	https://doi.org/10.1021/NP0302854
7-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one	45358136	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
7-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one	163081589	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1080/10575639708041197
7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one	74787988	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
7-[[2-O-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one	25075	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
Kaempferol 3-sophoroside 7-glucoside	12960459	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O	772.70	unknown	https://doi.org/10.1016/J.FOODCHEM.2005.09.065
Kaempferol 3-sophoroside-7-glucoside	12960460	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O	772.70	unknown	via CMAUP database
Kaempferol 3,7-diglucoside	6325460	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O	610.50	unknown	https://doi.org/10.1021/NP0302854
Kaempferol 3,7,4'-O-triglucoside	14334865	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O	772.70	unknown	https://doi.org/10.1016/J.FOODCHEM.2005.09.065
kaempferol 7-O-glucoside	10095180	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1021/NP0302854
Kaempferol-3-sophoroside-7-glucoside	44258829	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O	772.70	unknown	via CMAUP database
Kaempferol-3,7-di-o-glucoside	91872956	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O	610.50	unknown	via CMAUP database
Kaempferol-7-o-glucoside	5480982	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1021/NP0302854
Naringin	442428	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
Naringin [10236-47-2]	45933923	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-4-one	15959353	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4CC(C(C(C4O)O)O)CO)O	476.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
Kaempferide(1-)	25201489	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-]	299.25	unknown	via CMAUP database

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Crocus sativus

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