Language	Common/alternative name
Arabic	حشيشة الملاك الصينية
Arabic	حشيشة الملاك العينية
French	angélique de chine
Indonesian	dong quai
Japanese	当帰
Japanese	唐当帰
Japanese	カラトウキ
lzh	當歸
Dutch	dong quai
Polish	dzięgiel chiński
Swedish	kinakvanne
Thai	ตังกุย
Chinese	當歸
Chinese	归尾
Chinese	归头
Chinese	秦归
Chinese	云归
Chinese	当归

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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Name	Authority	First published in
Angelica sinensis var. sinensis		Unknown
Angelica sinensis var. wilsonii	(H.Wolff) Z.H.Pan & M.F.Watson	Acta Phytotax. Sin. 42: 562 (2004)

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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Sow seeds at 20°C, expecting germination within 3 months without further temperature treatment.

Requires Light or Surface Sowing: These seeds need light to germinate and should not be covered with soil or only very lightly. They are often very small and sown directly on the surface of the growing medium.

Sow seeds immediately as their viability decreases rapidly, or they best germinate when fresh. If stored, seeds might need temperature cycling and patience to germinate.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Asia-temperate click to expand
- China
  - China North-central
  - China South-central
  - Inner Mongolia

Asia-tropical click to expand
- Indo-China
  - Vietnam

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000536403
UNII	697D19QDBN
Tropicos	1701399
KEW	urn:lsid:ipni.org:names:77065778-1
The Plant List	kew-2639272
Open Tree Of Life	182228
NCBI Taxonomy	165353
IPNI	77065778-1
iNaturalist	785992
GBIF	6027415
Freebase	/m/05c1kc
USDA GRIN	406655
Wikipedia	Angelica_sinensis
CMAUP	NPO15462

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

Efficacy of Shu-yi-ning-chang decoction on IBS-D: Modulating Nr4a3 pathway to reduce visceral hypersensitivity

Guo Y, Lu Q, Yang XJ, He Y, Wu Y, Qin B, Li T, Duan M, Liu N, Wu X, He Y

PLoS One

17-Apr-2024

PMCID:	PMC11023393
doi:	10.1371/journal.pone.0299376
PMID:	38630738

Danggui Sini decoction alleviates oxaliplatin-induced peripheral neuropathy by regulating gut microbiota and potentially relieving neuroinflammation related metabolic disorder

Chen C, Xu JL, Gu ZC, Zhou SS, Wei GL, Gu JL, Ma HL, Feng YQ, Song ZW, Yan ZP, Deng S, Ding R, Li SL, Huo JG

Chin Med

07-Apr-2024

PMCID:	PMC10999090
doi:	10.1186/s13020-024-00929-7
PMID:	38584284

A Chinese classical prescription Xuefu Zhuyu decoction in the treatment of coronary heart disease: An overview

Wang X, Xing X, Huang P, Zhang Z, Zhou Z, Liang L, Yao R, Wu X, Yang L

Heliyon

04-Apr-2024

PMCID:	PMC11015425
doi:	10.1016/j.heliyon.2024.e28919
PMID:	38617912

SIRT1/P53 in retinal pigment epithelial cells in diabetic retinopathy: a gene co-expression analysis and He-Ying-Qing-Re formula treatment

Zhang S, Wu J, Wang L, Mu L, Xu X, Li J, Tang G, Chen G, Zhang C, Zhang Y, Feng Y

Front Mol Biosci

03-Apr-2024

PMCID:	PMC11021775
doi:	10.3389/fmolb.2024.1366020
PMID:	38633216

The traditional uses, pharmacology, and phytochemistry of Peucedanum praeruptorum Dunn

Wang Q, Sun Q, Huang Q, Qin L, Zhu B

Front Pharmacol

03-Apr-2024

PMCID:	PMC11021687
doi:	10.3389/fphar.2024.1352657
PMID:	38633612

Traditional Chinese medicine in osteoporosis: from pathogenesis to potential activity

Cao G, Hu S, Ning Y, Dou X, Ding C, Wang L, Wang Z, Sang X, Yang Q, Shi J, Hao M, Han X

Front Pharmacol

02-Apr-2024

PMCID:	PMC11019011
doi:	10.3389/fphar.2024.1370900
PMID:	38628648

Targeting bone homeostasis regulation: potential of traditional Chinese medicine flavonoids in the treatment of osteoporosis

Du J, Wang Y, Wu C, Zhang X, Zhang X, Xu X

Front Pharmacol

02-Apr-2024

PMCID:	PMC11018902
doi:	10.3389/fphar.2024.1361864
PMID:	38628649

Traditional Chinese medicine for idiopathic membranous nephropathy: A systematic review and meta-analysis

Shan W, Guan H, Gu H, Wang R, Huang X, Li P, Xie Y, Bao K, Qin X

Heliyon

31-Mar-2024

PMCID:	PMC11002280
doi:	10.1016/j.heliyon.2024.e28836
PMID:	38596093

Gut microbes combined with metabolomics reveal the protective effects of Qijia Rougan decoction against CCl4-induced hepatic fibrosis

Li X, Xu X, Tao S, Su Y, Wen L, Wang D, Liu J, Feng Q

Front Pharmacol

28-Mar-2024

PMCID:	PMC11007057
doi:	10.3389/fphar.2024.1347120
PMID:	38606180

The anti-depression effect and potential mechanism of the petroleum ether fraction of CDB: Integrated network pharmacology and metabolomics

Zeng J, Chen L, Peng X, Luan F, Hu J, Xie Z, Xie H, Liu R, Lv H, Zeng N

Heliyon

27-Mar-2024

PMCID:	PMC10998071
doi:	10.1016/j.heliyon.2024.e28582
PMID:	38586416

Integrated transcriptomic and metabolomic analysis reveals the regulation mechanism of early bolting and flowering in two cultivars of Angelica sinensis

Zhu C, Bai Y, Jiang Y, Zhang Y, Wang S, Wang F, Sun Z

Heliyon

27-Mar-2024

PMCID:	PMC10990851
doi:	10.1016/j.heliyon.2024.e28636
PMID:	38576577

Herbal Theranostics: Controlled, Targeted Delivery and Imaging of Herbal Molecules

Setia A, Vallamkonda B, Challa RR, Mehata AK, Badgujar P, Muthu MS

Nanotheranostics

25-Mar-2024

PMCID:	PMC10988210
doi:	10.7150/ntno.94987
PMID:	38577318

Comprehensive effect of Naoxintong capsule combined with Western medicine on coronary heart disease after percutaneous coronary intervention: a meta-analysis

Yu L, Huang P, Wang M, Li Z, Cai H, Feng Y, Wu L, Peng W, Zeng J, Chen B

Front Pharmacol

25-Mar-2024

PMCID:	PMC11000174
doi:	10.3389/fphar.2024.1274000
PMID:	38590642

Mechanisms underlying the therapeutic effects of Xiaoyaosan in treating hyperplasia of mammary glands based on network pharmacology

Li P, Tai Y, Zhang L, Wang S, Guan Q, Li X, Liu S, Liu M

Medicine (Baltimore)

22-Mar-2024

PMCID:	PMC10957003
doi:	10.1097/MD.0000000000036263
PMID:	38517996

A review of chemotherapeutic drugs-induced arrhythmia and potential intervention with traditional Chinese medicines

Li W, Cheng X, Zhu G, Hu Y, Wang Y, Niu Y, Li H, Aierken A, Li J, Feng L, Liu G

Front Pharmacol

20-Mar-2024

PMCID:	PMC10987752
doi:	10.3389/fphar.2024.1340855
PMID:	38572424

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 / Amaryllidaceae alkaloids / Crinine- and Haemanthamine-type amaryllidaceae alkaloids
(1R,13S,15R,18R)-15-Methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol	12096833	Click to see COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O	301.34	unknown	via CMAUP database
> Alkaloids and derivatives / Erythrina alkaloids / Erythrinanes
2,12-dimethoxy-2,4a,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline	3488097	Click to see COC1CC23C(CCN2CCC4=C3C=C(C=C4)OC)C=C1	285.40	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives
Benzeneacetate	4409936	Click to see C1=CC=C(C=C1)CC(=O)[O-]	135.14	unknown	via CMAUP database
Ethyl mandelate	13050	Click to see CCOC(=O)C(C1=CC=CC=C1)O	180.20	unknown	via CMAUP database
Isopentylbenzene	16294	Click to see CC(C)CCC1=CC=CC=C1	148.24	unknown	via CMAUP database
Pentylbenzene	10864	Click to see CCCCCC1=CC=CC=C1	148.24	unknown	via CMAUP database
Trimethylbenzene	10686	Click to see CC1=C(C(=CC=C1)C)C	120.19	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / 2-phenoxypropionic acids / Aryloxyphenoxypropionic acids
XK-469 free acid, (R)-	3246729	Click to see CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl	344.70	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzenesulfonamides
2-Butylbenzenesulfonamide	14149637	Click to see CCCCC1=CC=CC=C1S(=O)(=O)N	213.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
N-Butylbenzenesulfonamide	19241	Click to see CCCCNS(=O)(=O)C1=CC=CC=C1	213.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Allyl benzoate	11406	Click to see C=CCOC(=O)C1=CC=CC=C1	162.18	unknown	via CMAUP database
Dibutyl Phthalate	3026	Click to see CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC	278.34	unknown	via CMAUP database
Diisobutyl phthalate	6782	Click to see CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C	278.34	unknown	via CMAUP database
Dimethyl Phthalate	8554	Click to see COC(=O)C1=CC=CC=C1C(=O)OC	194.18	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
CID 10678810	10678810	Click to see C1=CC=C(C(=C1)C(=O)O)C(=O)O	174.13	unknown	via CMAUP database
Phthalic acid	1017	Click to see C1=CC=C(C(=C1)C(=O)O)C(=O)O	166.13	unknown	https://doi.org/10.1365/S10337-009-1222-9
Phthalic Acid-d4	16212019	Click to see C1=CC=C(C(=C1)C(=O)O)C(=O)O	170.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	via CMAUP database
4-Hydroxybenzoic acid	135	Click to see C1=CC(=CC=C1C(=O)O)O	138.12	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillic Acid	8468	Click to see COC1=C(C=CC(=C1)C(=O)O)O	168.15	unknown	https://doi.org/10.1365/S10337-009-1222-9
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
4-Methoxybenzoate	3783514	Click to see COC1=CC=C(C=C1)C(=O)[O-]	151.14	unknown	via CMAUP database
p-Anisic acid	7478	Click to see COC1=CC=C(C=C1)C(=O)O	152.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
2,3,6-Trimethylbenzaldehyde	10236014	Click to see CC1=C(C(=C(C=C1)C)C=O)C	148.20	unknown	via CMAUP database
2,4-Dimethylbenzaldehyde	61814	Click to see CC1=CC(=C(C=C1)C=O)C	134.17	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
2,4,6-Trimethylbenzaldehyde	10254	Click to see CC1=CC(=C(C(=C1)C)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
> Benzenoids / Benzene and substituted derivatives / Cumenes
3-Isopropylbenzaldehyde	520680	Click to see CC(C)C1=CC=CC(=C1)C=O	148.20	unknown	via CMAUP database
o-Cymene	10703	Click to see CC1=CC=CC=C1C(C)C	134.22	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
3,5-Dimethoxytoluene	77844	Click to see CC1=CC(=CC(=C1)OC)OC	152.19	unknown	via CMAUP database
Methyleugenol	7127	Click to see COC1=C(C=C(C=C1)CC=C)OC	178.23	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenethylamines / Amphetamines and derivatives
(R)-b-(Boc-amino)-2,5-difluorobenzenebutanoic acid	11347588	Click to see CC(C)(C)OC(=O)NC(CC1=C(C=CC(=C1)F)F)CC(=O)O	315.31	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 / Styrenes
3,5-Dimethylstyrene	21476	Click to see CC1=CC(=CC(=C1)C=C)C	132.20	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Toluenes
2-Methylbenzyl radical	137549	Click to see CC1=CC=CC=C1[CH2]	105.16	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Xylenes / p-Xylenes
P-Xylene	7809	Click to see CC1=CC=C(C=C1)C	106.16	unknown	via CMAUP database
> Benzenoids / Fluorenes
Fluorene	6853	Click to see C1C2=CC=CC=C2C3=CC=CC=C31	166.22	unknown	via CMAUP database
> Benzenoids / Naphthalenes
1,3-Dimethylnaphthalene	11327	Click to see CC1=CC2=CC=CC=C2C(=C1)C	156.22	unknown	via CMAUP database
2-Methylnaphthalene	7055	Click to see CC1=CC2=CC=CC=C2C=C1	142.20	unknown	via CMAUP database
Naphthalene	931	Click to see C1=CC=C2C=CC=CC2=C1	128.17	unknown	via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
4-Ethylphenol	31242	Click to see CCC1=CC=C(C=C1)O	122.16	unknown	via CMAUP database
4-Pentylphenol	26975	Click to see CCCCCC1=CC=C(C=C1)O	164.24	unknown	via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
3-Ethylphenol	12101	Click to see CCC1=CC(=CC=C1)O	122.16	unknown	via CMAUP database
Hydron;phenoxide	20488062	Click to see [H+].C1=CC=C(C=C1)[O-]	94.11	unknown	via CMAUP database
> Benzenoids / Phenols / Benzenediols / Resorcinols
4-Ethylresorcinol	17927	Click to see CCC1=C(C=C(C=C1)O)O	138.16	unknown	via CMAUP database
> Benzenoids / Phenols / Cresols / Ortho cresols
2,3-Dimethylphenol	10687	Click to see CC1=C(C(=CC=C1)O)C	122.16	unknown	via CMAUP database
o-Cresol	335	Click to see CC1=CC=CC=C1O	108.14	unknown	via CMAUP database
> Benzenoids / Phenols / Cresols / Para cresols
P-Cresol	2879	Click to see CC1=CC=C(C=C1)O	108.14	unknown	via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
2-Deuterio-6-methoxyphenol	10725347	Click to see COC1=CC=CC=C1O	125.14	unknown	via CMAUP database
2-Methoxy-4-propylphenol	17739	Click to see CCCC1=CC(=C(C=C1)O)OC	166.22	unknown	via CMAUP database
2-Methoxy-4-vinylphenol	332	Click to see COC1=C(C=CC(=C1)C=C)O	150.17	unknown	via CMAUP database
2,3,6-Trideuterio-4-hydroxy-5-methoxybenzaldehyde	11389509	Click to see COC1=C(C=CC(=C1)C=O)O	155.17	unknown	via CMAUP database
4-Amino-3-methoxyphenol	19818056	Click to see COC1=C(C=CC(=C1)O)N	139.15	unknown	via CMAUP database
4-Ethyl-2-methoxyphenol	62465	Click to see CCC1=CC(=C(C=C1)O)OC	152.19	unknown	via CMAUP database
cis-Isoeugenol	1549041	Click to see CC=CC1=CC(=C(C=C1)O)OC	164.20	unknown	via CMAUP database
Coniferyl alcohol	1549095	Click to see COC1=C(C=CC(=C1)C=CCO)O	180.20	unknown	via CMAUP database
Guaiacol	460	Click to see COC1=CC=CC=C1O	124.14	unknown	via CMAUP database
Isoeugenol	853433	Click to see CC=CC1=CC(=C(C=C1)O)OC	164.20	unknown	via CMAUP database
N-Trans-feruloyltramine	5280537	Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O	313.30	unknown	via CMAUP database
Vanillin	1183	Click to see COC1=C(C=CC(=C1)C=O)O	152.15	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
> Benzenoids / Pyrenes / Benzopyrenes
Benzo[a]pyrene	2336	Click to see C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3	252.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1804119/
> Hydrocarbons / Polycyclic hydrocarbons
(-)-Isoledene	91873614	Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C	204.35	unknown	via CMAUP database
(1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene	15431199	Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C	204.35	unknown	via CMAUP database
Isoledene	530426	Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C	204.35	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons
Dodecyl radical	5359624	Click to see CCCCCCCCCCC[CH2]	169.33	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Decane	15600	Click to see CCCCCCCCCC	142.28	unknown	via CMAUP database
Dodecane	8182	Click to see CCCCCCCCCCCC	170.33	unknown	via CMAUP database
Heptane	8900	Click to see CCCCCCC	100.20	unknown	via CMAUP database
Hexadecane	11006	Click to see CCCCCCCCCCCCCCCC	226.44	unknown	via CMAUP database
Nonacosane	12409	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	408.80	unknown	via CMAUP database
Nonane	8141	Click to see CCCCCCCCC	128.25	unknown	via CMAUP database
Octane	356	Click to see CCCCCCCC	114.23	unknown	via CMAUP database
Pentadecane	12391	Click to see CCCCCCCCCCCCCCC	212.41	unknown	via CMAUP database
Tetradecane	12389	Click to see CCCCCCCCCCCCCC	198.39	unknown	via CMAUP database
Tridecane	12388	Click to see CCCCCCCCCCCCC	184.36	unknown	via CMAUP database
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	via CMAUP database
2-Methylnonane	13379	Click to see CCCCCCCC(C)C	142.28	unknown	via CMAUP database
2-Methyloctane	18591	Click to see CCCCCCC(C)C	128.25	unknown	via CMAUP database
2,4,6-Trimethylheptane	137658	Click to see CC(C)CC(C)CC(C)C	142.28	unknown	via CMAUP database
3-Methylnonane	22202	Click to see CCCCCCC(C)CC	142.28	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
(-)-alpha-Alaskene	524815	Click to see CC1CCC(=C(C)C)C12CCC(=CC2)C	204.35	unknown	via CMAUP database
(1R,2R,6S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecane	6427472	Click to see CC12CCC(=C)C(C1)C3(C2(CCC3)C)C	204.35	unknown	via CMAUP database
(1R,4R,5S)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene	13743810	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
(1R,5R)-1,8-Dimethyl-4-(propan-2-ylidene)spiro[4.5]dec-7-ene	6428281	Click to see CC1CCC(=C(C)C)C12CCC(=CC2)C	204.35	unknown	via CMAUP database
1,5,5-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)cyclohexene	5315803	Click to see CC1=CCC(CC1)C2C(=CCCC2(C)C)C	218.38	unknown	via CMAUP database
1,5,5,6-Tetramethyl-1,3-cyclohexadiene	10581	Click to see CC1C(=CC=CC1(C)C)C	136.23	unknown	via CMAUP database
2,4,6-Trimethyl-1,3,6-heptadiene	291990	Click to see CC(=C)CC(=CC(=C)C)C	136.23	unknown	via CMAUP database
2,4,6-Trimethyl-1,3,6-heptatriene	5368777	Click to see CC(=C)CC(=CC(=C)C)C	136.23	unknown	via CMAUP database
Acoradiene	90351	Click to see CC1CCC(C12CCC(=CC2)C)C(=C)C	204.35	unknown	via CMAUP database
alpha-Acoradiene	6429151	Click to see CC1CCC2(C=C1)C(CC=C2C(C)C)C	204.35	unknown	via CMAUP database
alpha-Alaskene	6428487	Click to see CC1CCC(=C(C)C)C12CCC(=CC2)C	204.35	unknown	via CMAUP database
alpha-Myrcene	519324	Click to see CC(=C)CCCC(=C)C=C	136.23	unknown	via CMAUP database
Aromadendrene, dehydro-	589433	Click to see CC1CC=C2C1C3C(C3(C)C)CCC2=C	202.33	unknown	via CMAUP database
beta-Acoradiene	6428280	Click to see CC1CCC(C12CCC(=CC2)C)C(=C)C	204.35	unknown	via CMAUP database
gamma-Acoradiene	15558663	Click to see CC1CCC(=C(C)C)C12CCC(=CC2)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
> Hydrocarbons / Unsaturated hydrocarbons / Enynes
2-Nonen-4-yne, (E)-	5367387	Click to see CCCCC#CC=CC	122.21	unknown	via CMAUP database
2-Nonen-4-yne, (Z)-	5367386	Click to see CCCCC#CC=CC	122.21	unknown	via CMAUP database
5-Undecen-3-yne	5367385	Click to see CCCCCC=CC#CCC	150.26	unknown	via CMAUP database
5-Undecen-3-yne, (Z)-	5367414	Click to see CCCCCC=CC#CCC	150.26	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatrienes
(3E,5Z)-undeca-1,3,5-triene	5352367	Click to see CCCCCC=CC=CC=C	150.26	unknown	via CMAUP database
(E,E,E)-2,4,6-Octatriene	5368766	Click to see CC=CC=CC=CC	108.18	unknown	via CMAUP database
1,3,5-Undecatriene	5367412	Click to see CCCCCC=CC=CC=C	150.26	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Cyclic olefins / Cycloalkenes
(R)-6-Butyl-1,4-cycloheptadiene	11804943	Click to see CCCCC1CC=CCC=C1	150.26	unknown	via CMAUP database
6-Butyl-1,4-cycloheptadiene	556470	Click to see CCCCC1CC=CCC=C1	150.26	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
(E)-5-Tetradecene	5353013	Click to see CCCCCCCCC=CCCCC	196.37	unknown	via CMAUP database
(E)-5-Undecene	5364447	Click to see CCCCCC=CCCCC	154.29	unknown	via CMAUP database
(Z)-5-Undecene	5364488	Click to see CCCCCC=CCCCC	154.29	unknown	via CMAUP database
1-Dodecene	8183	Click to see CCCCCCCCCCC=C	168.32	unknown	via CMAUP database
1-Tetradecene	14260	Click to see CCCCCCCCCCCCC=C	196.37	unknown	via CMAUP database
1-Tridecene	17095	Click to see CCCCCCCCCCCC=C	182.35	unknown	via CMAUP database
5-Tetradecene, (Z)-	5353012	Click to see CCCCCCCCC=CCCCC	196.37	unknown	via CMAUP database
5-Undecene	136588	Click to see CCCCCC=CCCCC	154.29	unknown	via CMAUP database
7-Hexadecene	5352264	Click to see CCCCCCCCC=CCCCCCC	224.42	unknown	via CMAUP database
7-Hexadecene, (Z)-	5364564	Click to see CCCCCCCCC=CCCCCCC	224.42	unknown	via CMAUP database
8-Heptadecane	520230	Click to see CCCCCCCCC=CCCCCCCC	238.50	unknown	via CMAUP database
8-Heptadecene	5364555	Click to see CCCCCCCCC=CCCCCCCC	238.50	unknown	via CMAUP database
8Z-Heptadecene	5352243	Click to see CCCCCCCCC=CCCCCCCC	238.50	unknown	via CMAUP database
Amyl Amylen	88039	Click to see CCCCCC=CCCC	140.27	unknown	via CMAUP database
cis-4-Decene	5364504	Click to see CCCCCC=CCCC	140.27	unknown	via CMAUP database
Tetradec-9-ene	521035	Click to see CCCCCCCCC=CCCCC	196.37	unknown	via CMAUP database
trans-4-Decene	5364458	Click to see CCCCCC=CCCC	140.27	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Dibenzylbutane lignans
4-[(2R,3R)-3-[(3,4-Dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene	9953821	Click to see COCC(CC1=CC(=C(C=C1)OC)OC)C(CC2=CC(=C(C=C2)OC)OC)COC	418.50	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans
4-[(3R,3aS,6R,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol	70695728	Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O	356.40	unknown	via CMAUP database
Piperitol	10247670	Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O	356.40	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
Suchilactone	10915582	Click to see COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC	368.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
(2-Pentadecyl-1,3-dioxolan-4-yl)methyl palmitate	631084	Click to see CCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCCCCCCCCCCCC	552.90	unknown	via CMAUP database
2-Methylbutyl hexanoate	102855	Click to see CCCCCC(=O)OCC(C)CC	186.29	unknown	via CMAUP database
Butyl heptanoate	21596	Click to see CCCCCCC(=O)OCCCC	186.29	unknown	via CMAUP database
Butyl hexanoate	12294	Click to see CCCCCC(=O)OCCCC	172.26	unknown	via CMAUP database
Butyl octanoate	11517	Click to see CCCCCCCC(=O)OCCCC	200.32	unknown	via CMAUP database
Isopropyl hexanoate	16832	Click to see CCCCCC(=O)OC(C)C	158.24	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Acyl carnitines
Hexanoylcarnitine	6426853	Click to see CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C	259.34	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Cyanolipids / Type 1 cyanolipids
[(Z)-3-cyano-2-methylprop-2-enyl] tetradecanoate	5321837	Click to see CCCCCCCCCCCCCC(=O)OCC(=CC#N)C	307.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
Dimethyl azelate	15612	Click to see COC(=O)CCCCCCCC(=O)OC	216.27	unknown	via CMAUP database
Dimethyl sebacate	7829	Click to see COC(=O)CCCCCCCCC(=O)OC	230.30	unknown	via CMAUP database
Methyl hexanoate	7824	Click to see CCCCCC(=O)OC	130.18	unknown	via CMAUP database
Methyl palmitate	8181	Click to see CCCCCCCCCCCCCCCC(=O)OC	270.50	unknown	via CMAUP database
Methyl pentadecanoate	23518	Click to see CCCCCCCCCCCCCCC(=O)OC	256.42	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids
(R)-2-Methylbutanoic acid	6950479	Click to see CCC(C)C(=O)O	102.13	unknown	via CMAUP database
(S)-2-methylbutanoic acid	448893	Click to see CCC(C)C(=O)O	102.13	unknown	via CMAUP database
2-Methylbutanoic acid	8314	Click to see CCC(C)C(=O)O	102.13	unknown	via CMAUP database
2,3-Dimethylacrylic acid, (Z)-	643915	Click to see CC=C(C)C(=O)O	100.12	unknown	https://doi.org/10.1142/S0192415X87000151 https://doi.org/10.1201/B14669-29
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
2-Dodecyl-3-methylbutanedioic acid	99891	Click to see CCCCCCCCCCCCC(C(C)C(=O)O)C(=O)O	300.40	unknown	via CMAUP database
CID 5326436	5326436	Click to see CC[CH-]C[CH-]C[CH-]CCCCCCCCC(=O)O	253.40	unknown	via CMAUP database
Myristic Acid	11005	Click to see CCCCCCCCCCCCCC(=O)O	228.37	unknown	https://doi.org/10.1142/S0192415X87000151 https://doi.org/10.1201/B14669-29
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	https://doi.org/10.1142/S0192415X87000151 https://doi.org/10.1201/B14669-29
Pentadecanoic acid	13849	Click to see CCCCCCCCCCCCCCC(=O)O	242.40	unknown	via CMAUP database
trans-13-Octadecenoic acid	6161490	Click to see CCCCC=CCCCCCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
2-Dodecenoic acid	5282729	Click to see CCCCCCCCCC=CC(=O)O	198.30	unknown	via CMAUP database
Azelaic Acid	2266	Click to see C(CCCC(=O)O)CCCC(=O)O	188.22	unknown	via CMAUP database
Capric Acid	2969	Click to see CCCCCCCCCC(=O)O	172.26	unknown	via CMAUP database
Decanoate	4678093	Click to see CCCCCCCCCC(=O)[O-]	171.26	unknown	via CMAUP database
Nonanedioate	3801344	Click to see C(CCCC(=O)[O-])CCCC(=O)[O-]	186.20	unknown	via CMAUP database
Octanoic acid	379	Click to see CCCCCCCC(=O)O	144.21	unknown	via CMAUP database
Sebacic Acid	5192	Click to see C(CCCCC(=O)O)CCCC(=O)O	202.25	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids
Butyrate	104775	Click to see CCCC(=O)[O-]	87.10	unknown	via CMAUP database
Butyric Acid	264	Click to see CCCC(=O)O	88.11	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
(113C)Tetracosanoic acid	16213616	Click to see CCCCCCCCCCCCCCCCCCCCCCCC(=O)O	369.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(1R,6R)-1-[(2R,3R)-3-heptyloxiran-2-yl]oct-7-en-2,4-diyne-1,6-diol	162932209	Click to see CCCCCCCC1C(O1)C(C#CC#CC(C=C)O)O	276.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
(8S,9Z)-8-Hydroxy-1-methoxy-9-heptadecene-4,6-diyne-3-one	44575261	Click to see CCCCCCCC=CC(C#CC#CC(=O)CCOC)O	290.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
(R)-4-Tetradecanol	13109011	Click to see CCCCCCCCCCC(CCC)O	214.39	unknown	via CMAUP database
(S)-4-Tetradecanol	50930589	Click to see CCCCCCCCCCC(CCC)O	214.39	unknown	via CMAUP database
1-Dodecanol	8193	Click to see CCCCCCCCCCCCO	186.33	unknown	https://doi.org/10.1142/S0192415X87000151 https://doi.org/10.1201/B14669-29
3-Undecanol	98970	Click to see CCCCCCCCC(CC)O	172.31	unknown	via CMAUP database
4-Tetradecanol	33740	Click to see CCCCCCCCCCC(CCC)O	214.39	unknown	via CMAUP database
6-Undecanol	32045	Click to see CCCCCC(CCCCC)O	172.31	unknown	via CMAUP database
8-Hydroxy-1-methoxyheptadec-9-en-4,6-diyn-3-one	75048852	Click to see CCCCCCCC=CC(C#CC#CC(=O)CCOC)O	290.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2504689/
Panaquinquecol 2	14827985	Click to see CCCCCCCC1C(O1)C(C#CC#CC(C=C)O)O	276.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2504689/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
(3S,8R,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol	91973785	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
(3S,8R)-heptadeca-1,9-dien-4,6-diyne-3,8-diol	131954651	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2504689/
(3S,8S)-heptadec-9-en-4,6-diyne-3,8-diol	467779	Click to see CCCCCCCC=CC(C#CC#CC(CC)O)O	262.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2504689/ https://doi.org/10.1021/JF026178H
(3S,9E)-heptadeca-1,9-dien-4,6-diyn-3-ol	71308196	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
(8S,9Z)-Heptadeca-1,9-diene-4,6-diyne-3,8-diol	46887429	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
(E,3S,8S)-heptadec-9-en-4,6-diyne-3,8-diol	102091757	Click to see CCCCCCCC=CC(C#CC#CC(CC)O)O	262.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2504689/
(E,R)-Heptadeca-1,9-dien-4,6-diyne-3-ol	56935896	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
(E)-Hexadec-11-en-1-ol	5352278	Click to see CCCCC=CCCCCCCCCCCO	240.42	unknown	via CMAUP database
(E)-hexadec-2-en-1-ol	5362706	Click to see CCCCCCCCCCCCCC=CCO	240.42	unknown	via CMAUP database
(R)-2-Pentadecanol	92167723	Click to see CCCCCCCCCCCCCC(C)O	228.41	unknown	via CMAUP database
(S)-2-Pentadecanol	92170845	Click to see CCCCCCCCCCCCCC(C)O	228.41	unknown	via CMAUP database
(Z,3R,8S)-heptadec-9-en-4,6-diyne-3,8-diol	95359688	Click to see CCCCCCCC=CC(C#CC#CC(CC)O)O	262.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
(Z)-11-Hexadecen-1-ol	5283305	Click to see CCCCC=CCCCCCCCCCCO	240.42	unknown	via CMAUP database
[(9Z)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate	10336877	Click to see CC(=O)OCCCCCCCCC=CC(C#CC#CC(C=C)O)O	332.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2504689/
1-Acetoxy-9,17-octadecadiene-12,14-diyne-11,16-diol	11652871	Click to see CC(=O)OCCCCCCCCC=CC(C#CC#CC(C=C)O)O	332.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
1-Pentadecanol	12397	Click to see CCCCCCCCCCCCCCCO	228.41	unknown	via CMAUP database
1-Tetradecanol	8209	Click to see CCCCCCCCCCCCCCO	214.39	unknown	https://doi.org/10.1142/S0192415X87000151 https://doi.org/10.1201/B14669-29
1-Tridecanol	8207	Click to see CCCCCCCCCCCCCO	200.36	unknown	via CMAUP database
1,9-Heptadecadiene-4,6-diyne-3,8-diol	6436239	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3S,8S,9Z)-	73128	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2504689/
11-Hexadecen-1-ol, (11Z)-	41965	Click to see CCCCC=CCCCCCCCCCCO	240.42	unknown	via CMAUP database
11,16-Dihydroxyoctadeca-9,17-diene-12,14-diyn-1-yl acetate	53440346	Click to see CC(=O)OCCCCCCCCC=CC(C#CC#CC(C=C)O)O	332.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
2-Pentadecanol	96687	Click to see CCCCCCCCCCCCCC(C)O	228.41	unknown	via CMAUP database
Cetyl Alcohol	2682	Click to see CCCCCCCCCCCCCCCCO	242.44	unknown	via CMAUP database
cis-(-)-Heptadeca-1,9-dien-4,6-diyn-3-ol	5353620	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
Falcalindiol	56935895	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
Falcarindiol	5281148	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2504689/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
Falcarinol	5281149	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
Heptadec-9-en-4,6-diyne-3,8-diol	73718621	Click to see CCCCCCCC=CC(C#CC#CC(CC)O)O	262.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
Heptadeca-1,9-dien-4,6-diyn-3-ol	3322	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
Heptadeca-1,9-dien-4,6-diyne-3,8-diol	5283263	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
Heptadeca-1,9-diene-4,6-diyne-3,8-diol	5317309	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	via CMAUP database
Oplopandiol	6474833	Click to see CCCCCCCC=CC(C#CC#CC(CC)O)O	262.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2504689/ https://doi.org/10.1021/JF026178H
Panaxynol	5469789	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
Panaxynol; Carotatoxin	3321	Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O	260.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
Stearyl Alcohol	8221	Click to see CCCCCCCCCCCCCCCCCCO	270.50	unknown	via CMAUP database
Z-7-Tetradecenol	5362795	Click to see CCCCCCC=CCCCCCCO	212.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
Pentadecanal	17697	Click to see CCCCCCCCCCCCCCC=O	226.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides
9-Octadecenamide	1930	Click to see CCCCCCCCC=CCCCCCCCC(=O)N	281.50	unknown	via CMAUP database
Elaidamide	5353370	Click to see CCCCCCCCC=CCCCCCCCC(=O)N	281.50	unknown	via CMAUP database
Oleamide	5283387	Click to see CCCCCCCCC=CCCCCCCCC(=O)N	281.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
(2-Hydroxy-3-octadeca-9,12,15-trienoyloxypropyl) octadeca-9,12,15-trienoate	78384988	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCC=CCC)O	612.90	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
1,3-Dilinolenoylglycerol	45934043	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCC=CCC)O	612.90	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
9,12-Octadecadienoic acid	3931	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
9,12-Octadecadienoic acid, (E,Z)-	5282798	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
9Z,12E-octadecadienoic acid	5282797	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
Linoelaidic acid	5282457	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
Linolenic Acid	5280934	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	via CMAUP database
methyl (9E,12Z)-octadeca-9,12-dienoate	5462988	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC	294.50	unknown	via CMAUP database
Methyl linoleate	5284421	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC	294.50	unknown	via CMAUP database
Methyl linolelaidate	5362793	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC	294.50	unknown	via CMAUP database
Methyl octadeca-9,12-dienoate	8203	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC	294.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
2,6,10,14-Tetramethylheptadecane	29036	Click to see CCCC(C)CCCC(C)CCCC(C)CCCC(C)C	296.60	unknown	via CMAUP database
Farnesylacetone	1711945	Click to see CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C	262.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids
[(1S,4S,5R,6R,9S,14R)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl hexadecanoate	5318035	Click to see CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C	586.80	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
(+)-Linalyl acetate	6999980	Click to see CC(=CCCC(C)(C=C)OC(=O)C)C	196.29	unknown	via CMAUP database
(4Z,6e)-2,6-dimethyl-2,4,6-octatriene	5462627	Click to see CC=C(C)C=CC=C(C)C	136.23	unknown	via CMAUP database
(E,Z)-2,6-Dimethylocta-2,4,6-triene	5371125	Click to see CC=C(C)C=CC=C(C)C	136.23	unknown	via CMAUP database
2,4,6-Octatriene, 2,6-dimethyl-, (4Z,6Z)-	5317469	Click to see CC=C(C)C=CC=C(C)C	136.23	unknown	via CMAUP database
2,6-Dimethyl-2,4,6-octatriene	5368821	Click to see CC=C(C)C=CC=C(C)C	136.23	unknown	via CMAUP database
beta-CITRONELLOL, (+/-)-	8842	Click to see CC(CCC=C(C)C)CCO	156.26	unknown	via CMAUP database
beta-Ocimene	18756	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	via CMAUP database
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
D-Citronellol	101977	Click to see CC(CCC=C(C)C)CCO	156.26	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
Linalyl acetate	8294	Click to see CC(=CCCC(C)(C=C)OC(=O)C)C	196.29	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
4-Isopropylbenzyl alcohol	325	Click to see CC(C)C1=CC=C(C=C1)CO	150.22	unknown	via CMAUP database
Carvacrol	10364	Click to see CC1=C(C=C(C=C1)C(C)C)O	150.22	unknown	https://doi.org/10.1142/S0192415X87000151 https://doi.org/10.1201/B14669-29
Carvacryl acetate	80792	Click to see CC1=C(C=C(C=C1)C(C)C)OC(=O)C	192.25	unknown	via CMAUP database
Cuminaldehyde	326	Click to see CC(C)C1=CC=C(C=C1)C=O	148.20	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
(-)-2-Carene	6430755	Click to see CC1=CC2C(C2(C)C)CC1	136.23	unknown	via CMAUP database
(-)-3-Carene	442461	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
(-)-alpha-Pinene	440968	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(-)-beta-Pinene	440967	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	via CMAUP database
(-)-Camphene	440966	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	via CMAUP database
(-)-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
(-)-Verbenone	92874	Click to see CC1=CC(=O)C2CC1C2(C)C	150.22	unknown	via CMAUP database
(+)-2-Carene	78249	Click to see CC1=CC2C(C2(C)C)CC1	136.23	unknown	via CMAUP database
(+)-3-Carene	443156	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
(+)-alpha-Pinene	82227	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(+)-Bornyl acetate	6950274	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
(+)-Camphene	92221	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	via CMAUP database
(1R,2S,4R)-(+)-Bornyl acetate	443131	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
(1R,5S,6R,7R)-7-(hydroxymethyl)-2,7-dimethylbicyclo[3.1.1]hept-2-en-6-ol	162959297	Click to see CC1=CCC2C(C1C2(C)CO)O	168.23	unknown	https://doi.org/10.1016/J.FITOTE.2011.02.007
(1S,2R,4S)-(-)-Bornyl acetate	442460	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
(1S,3R,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol	12314318	Click to see CC1(C2CC1C(=C)C(C2)O)C	152.23	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
2-Carene	79044	Click to see CC1=CC2C(C2(C)C)CC1	136.23	unknown	via CMAUP database
3-Carene	26049	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
6,6-Dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate	102553	Click to see CC(=O)OC1CC2CC(C1=C)C2(C)C	194.27	unknown	via CMAUP database
alpha-Bergamotenol	5368743	Click to see CC1=CCC2CC1C2(C)CCC=C(C)CO	220.35	unknown	via CMAUP database
alpha-Fenchene	28930	Click to see CC1(C2CCC1C(=C)C2)C	136.23	unknown	via CMAUP database
alpha-PINENE	6654	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
alpha-Pinene oxide	91508	Click to see CC1(C2CC1C3(C(C2)O3)C)C	152.23	unknown	via CMAUP database
beta-Pinene	14896	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	via CMAUP database
Bicyclo(4.1.0)hept-2-ene, 3,7,7-trimethyl-, (1S-cis)-	12302456	Click to see CC1=CC2C(C2(C)C)CC1	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
Bornyl acetate	6448	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
Bornyl acetate, (-)-	93009	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
Camphene	6616	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	via CMAUP database
Camphenone, 6-	185753	Click to see CC1(C2CC(C1=C)C(=O)C2)C	150.22	unknown	via CMAUP database
L-Born-2-yl acetate	44630108	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
Myrtanol	521314	Click to see CC1(C2CCC(C1C2)CO)C	154.25	unknown	via CMAUP database
Myrtanyl acetate	119852	Click to see CC(=O)OCC1CCC2CC1C2(C)C	196.29	unknown	via CMAUP database
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
Pinocarveol	102667	Click to see CC1(C2CC1C(=C)C(C2)O)C	152.23	unknown	via CMAUP database
Pinocarveol, trans-(-)-	1201530	Click to see CC1(C2CC1C(=C)C(C2)O)C	152.23	unknown	via CMAUP database
Pinocarvyl acetate, trans-(-)-	12858461	Click to see CC(=O)OC1CC2CC(C1=C)C2(C)C	194.27	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
trans-alpha-Bergamotol	91747487	Click to see CC1=CCC2CC1C2(C)CCC=C(C)CO	220.35	unknown	via CMAUP database
trans-Sabinol	6429076	Click to see CC(C)C12CC1C(=C)C(C2)O	152.23	unknown	via CMAUP database
Tricyclene	79035	Click to see CC1(C2CC3C1(C3C2)C)C	136.23	unknown	via CMAUP database
Verbenone	29025	Click to see CC1=CC(=O)C2CC1C2(C)C	150.22	unknown	via CMAUP database
Verbenone, (+)-	65724	Click to see CC1=CC(=O)C2CC1C2(C)C	150.22	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
(-)-cis-Carveol	330573	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(-)-Terpinen-4-ol	5325830	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	via CMAUP database
(-)-trans-Carveol	94221	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(+)-alpha-Phellandrene	443160	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	via CMAUP database
(+)-cis-Carveol	443177	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(+)-Terpinen-4-ol	2724161	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	via CMAUP database
(+)-trans-Carveol	443178	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6S)-rel-	85567	Click to see CC1=CC(C(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
Carveol	7438	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
Carveol, (-)-	11084068	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
Carvone, (+)-	16724	Click to see CC1=CCC(CC1=O)C(=C)C	150.22	unknown	via CMAUP database
Cyclohexene, 4-methyl-1-(1-methylethyl)-	10369	Click to see CC1CCC(=CC1)C(C)C	138.25	unknown	via CMAUP database
Cyclohexene, 4-methyl-1-(1-methylethyl)-, (R)-	23616903	Click to see CC1CCC(=CC1)C(C)C	138.25	unknown	via CMAUP database
Isopulegone	34645	Click to see CC1CCC(C(=O)C1)C(=C)C	152.23	unknown	via CMAUP database
Limonene, (-)-	439250	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
Limonene, (+)-	440917	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
Limonene, (+/-)-	22311	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
p-Menth-1-en-3-ol	10282	Click to see CC1=CC(C(CC1)C(C)C)O	154.25	unknown	via CMAUP database
p-MENTH-8-EN-3-ONE, trans-	6432305	Click to see CC1CCC(C(=O)C1)C(=C)C	152.23	unknown	via CMAUP database
p-Mentha-1,3,8-triene	176983	Click to see CC1=CC=C(CC1)C(=C)C	134.22	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-Mentha-1(7),2-dien-8-ol	522161	Click to see CC(C)(C1CCC(=C)C=C1)O	152.23	unknown	via CMAUP database
Terpinolene	11463	Click to see CC1=CCC(=C(C)C)CC1	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids
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
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols
Alpha-Tocopherol	14985	Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C	430.70	unknown	https://doi.org/10.1201/B14669-29
Covi-ox	6560141	Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C	430.70	unknown	https://doi.org/10.1142/S0192415X87000151
> Lipids and lipid-like molecules / Prenol lipids / Retinoids
(3S,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trien-1-ol	16750109	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(C)CCO)C	288.50	unknown	via CMAUP database
Retinol	445354	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C	286.50	unknown	https://doi.org/10.1201/B14669-29 https://doi.org/10.1142/S0192415X87000151
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-alpha-Cuprenene	12304250	Click to see CC1=CC=C(CC1)C2(CCCC2(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
(+)-Cyclosativene	519960	Click to see CC(C)C1CCC2(C3C1C4C2(C4C3)C)C	204.35	unknown	via CMAUP database
(+)-Eudesma-5,7(11)-diene	6428860	Click to see CC1CCCC2(C1=CC(=C(C)C)CC2)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
(+)-Thujopsene	11401461	Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C	204.35	unknown	via CMAUP database
(+)(-)-(E)-beta-caryophyllene	14757966	Click to see CC1(CC2C1CCC(=C)CCCC2=C)C	204.35	unknown	via CMAUP database
(1S,2S,3R,4S,6R,7R,8S)-1,2-Dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane	16212927	Click to see CC(C)C1CCC2(C3C1C4C2(C4C3)C)C	204.35	unknown	via CMAUP database
(1S,3aS,4S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene	91748784	Click to see CC1CCC(C=C2C1CCC2C)C(=C)C	204.35	unknown	via CMAUP database
(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene	5322111	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
(E)-beta-farnesene	10407	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	via CMAUP database
(E)-Thujopsene	91749973	Click to see CC1=CCC2(CCCC(C23C1C3)(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-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene	403919	Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C	204.35	unknown	via CMAUP database
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
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-[(3r,5s,8r)-3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol	72607	Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)O	222.37	unknown	via CMAUP database
2-[(3R,6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol	161437	Click to see CC1CCC=C(C12CCC(C2)C(C)(C)O)C	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
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
4,7-Dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol	5315645	Click to see CC(=CCCC1(C2CCC1(C(C2)O)C)C)C	222.37	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
Agarospirol	21675005	Click to see CC1CCC=C(C12CCC(C2)C(C)(C)O)C	222.37	unknown	via CMAUP database
alpha-Bulnesene	6432384	Click to see CC1CCC2=C(CCC(CC12)C(=C)C)C	204.35	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
beta-Bisabolene	10104370	Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C	204.35	unknown	via CMAUP database
beta-Cadinene	10657	Click to see CC1=CCC2C(C1)C(CC=C2C)C(C)C	204.35	unknown	https://doi.org/10.1142/S0192415X87000151 https://doi.org/10.1201/B14669-29
beta-Cuprenene	91748715	Click to see CC1(CCCC1(C)C2CCC(=C)C=C2)C	204.35	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-Sesquiphellandrene	519764	Click to see CC(CCC=C(C)C)C1CCC(=C)C=C1	204.35	unknown	via CMAUP database
Bulnesol	90785	Click to see CC1CCC2=C(CCC(CC12)C(C)(C)O)C	222.37	unknown	via CMAUP database
Caryophyllene	5281515	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
Caryophyllene epoxide	14350	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
Copaene	19725	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
Cubebene	518814	Click to see CC1CCC(C2C13C2C(=C)CC3)C(C)C	204.35	unknown	via CMAUP database
Cuparene	86895	Click to see CC1=CC=C(C=C1)C2(CCCC2(C)C)C	202.33	unknown	via CMAUP database
Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-(-)-	6432451	Click to see CC1=CCC2(CCCC(C23C1C3)(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
gamma-Bisabolene, (Z)-	3033866	Click to see CC1=CCC(=C(C)CCC=C(C)C)CC1	204.35	unknown	via CMAUP database
gamma-Elemene	94254	Click to see CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C	204.35	unknown	via CMAUP database
gamma-Gurjunene	90805	Click to see CC1CCC(C=C2C1CCC2C)C(=C)C	204.35	unknown	via CMAUP database
Guaiol	227829	Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)O	222.37	unknown	via CMAUP database
Guaiol acetate	240122	Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)OC(=O)C	264.40	unknown	via CMAUP database
Hinesol	289964	Click to see CC1CCC=C(C12CCC(C2)C(C)(C)O)C	222.37	unknown	via CMAUP database
Muurola-4,11-diene	6429206	Click to see CC1CCC2C(CCC(=C2C1)C(=C)C)C	204.35	unknown	via CMAUP database
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-	12306059	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	via CMAUP database
Thujopsen	97829	Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C	204.35	unknown	via CMAUP database
Thujopsene	442402	Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C	204.35	unknown	via CMAUP database
Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)-	11084908	Click to see CC1=CC=C(C=C1)C2(CCCC2(C)C)C	202.33	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(-)-Globulol	12304985	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	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
(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
(1aR,7S,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulen-7-ol	14038848	Click to see CC1=C2CCC(C2C3C(C3(C)C)CC1)(C)O	220.35	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
1,1,7-Trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol	522266	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,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
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
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
Isospathulenol	102303030	Click to see CC1=C2CCC(C2C3C(C3(C)C)CC1)(C)O	220.35	unknown	via CMAUP database
Ledene oxide-(I)	534497	Click to see CC1CCC23C1C4C(C4(C)C)CCC2(O3)C	220.35	unknown	via CMAUP database
Palustrol	110745	Click to see CC1CCC2(C1C3C(C3(C)C)CCC2C)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	via CMAUP database
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
(+)-Bicyclogermacrene	11820258	Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C	204.35	unknown	via CMAUP database
(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	13894537	Click to see CC1=CCCC(=CC2C(C2(C)C)CC1)C	204.35	unknown	via CMAUP database
(1S,2Z,6Z,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	5315347	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
(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
(1R,2R,5S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane	91750491	Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C	204.35	unknown	via CMAUP database
(1S,2R,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol	44123431	Click to see CC1CCC2C13CCC(C(C3)C2(C)C)(C)O	222.37	unknown	via CMAUP database
1,7-di-epi-beta-Cedrene	6431123	Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C	204.35	unknown	via CMAUP database
1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)-	12302594	Click to see CC1CCC2C13CC=C(C(C3)C2(C)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
beta-Cedrene	11106485	Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C	204.35	unknown	via CMAUP database
Cedrene	521207	Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C	204.35	unknown	via CMAUP database
Cedrol	65575	Click to see CC1CCC2C13CCC(C(C3)C2(C)C)(C)O	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Chamigranes
beta-Chamigrene	29073	Click to see CC1=CCC2(CC1)C(=C)CCCC2(C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
Beta-Elemene	6918391	Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	204.35	unknown	via CMAUP database
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
Elemol	92138	Click to see CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
2-(4a-Methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)propan-2-ol	521215	Click to see CC12CCCC(=C)C1CC(CC2)C(C)(C)O	222.37	unknown	via CMAUP database
2-Naphthalenemethanol, 1,2,3,4,4a,5,6,8a-octahydro-alpha,alpha,4a,8-tetramethyl-, [2R-(2alpha,4aalpha,8abeta)]-	5317269	Click to see CC1=CCCC2(C1CC(CC2)C(C)(C)O)C	222.37	unknown	via CMAUP database
2-Naphthalenemethanol, 2,3,4,4a,5,6,7,8-octahydro-alpha,alpha,4a,8-tetramethyl-, (2R,4aS,8R)-	10727766	Click to see CC1CCCC2(C1=CC(CC2)C(C)(C)O)C	222.37	unknown	via CMAUP database
2-Naphthalenemethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-, [2R-(2alpha,4aalpha,8abeta)]-	6432456	Click to see CC12CCCC(=C)C1CC(CC2)C(C)(C)O	222.37	unknown	via CMAUP database
beta-EUDESMOL	91457	Click to see CC12CCCC(=C)C1CC(CC2)C(C)(C)O	222.37	unknown	via CMAUP database
gamma-EUDESMOL	6432005	Click to see CC1=C2CC(CCC2(CCC1)C)C(C)(C)O	222.37	unknown	via CMAUP database
Rosifoliol	527256	Click to see CC1CCCC2(C1=CC(CC2)C(C)(C)O)C	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Himachalane and lippifoliane sesquiterpenoids
beta-Himachalene	11586487	Click to see CC1=CC2C(=C(CCCC2(C)C)C)CC1	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,5S,6R,7R)-7-(hydroxymethyl)-2,7-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]oxane-3,4,5-triol	162868281	Click to see CC1=CCC2C(C1C2(C)CO)OC3C(C(C(C(O3)CO)O)O)O	330.37	unknown	https://doi.org/10.1016/J.FITOTE.2011.02.007
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
[(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	6325178	Click to see CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O	524.50	unknown	via CMAUP database
[(6S)-6,7-dihydroxy-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate	24893667	Click to see CC(C)CC(=O)OCC1=COC(C2C1CC(C2(C)O)O)OC3C(C(C(C(O3)CO)O)O)O	462.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
(6'S)-beta,epsilon-carotene	6419724	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C	536.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
beta,epsilon-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-, (3S,3'R,5R,6'R,8S)-	5376313	Click to see CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C)(C)C)O	584.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(5aS,11aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysene	5318564	Click to see CC(C)C1CCC2C1(CCC3(C2(CCC4=C3CCC5C4(CCCC5(C)C)C)C)C)C	410.70	unknown	via CMAUP database
[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	10769701	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	via CMAUP database
[5-Acetyloxy-10-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] 2-methylbutanoate	13858048	Click to see CCC(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)OC(=O)C)CO)(C)C	600.90	unknown	https://doi.org/10.1201/B14669-29
Acetobetulinic acid	10300534	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)O	498.70	unknown	via CMAUP database
Diosgenin	99474	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1	414.60	unknown	via CMAUP database
Squalene	638072	Click to see CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C	410.70	unknown	via CMAUP database
Tigogenin	99516	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1	416.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(3S,10S,13R)-10,13-dimethyl-17-(5,5,6-trimethylheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	5316882	Click to see CC(C)C(C)(C)CCC(C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4)O)C)C	414.70	unknown	via CMAUP database
> 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 / Hydroxysteroids / 3-hydroxysteroids / 3-beta-hydroxysteroids
(1R,2S,4S,6R,7S,8R,9S,10R,12S,13R,16S)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10,16-diol	46833330	Click to see CC1C2C(CC3C2(C(CC4C3CC=C5C4(CCC(C5)O)C)O)C)OC16CCCCO6	416.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Physalins and derivatives
(1R,2R,4R,5R,8S,11R,13S,14S,15R,16S,19S,22S,23R,25S)-2,19-dihydroxy-13,16,23-trimethyl-6,10,17,26,27,30-hexaoxanonacyclo[23.2.2.15,14.15,15.01,23.04,22.08,13.011,16.015,19]hentriacont-28-ene-9,18,24,31-tetrone	21633629	Click to see CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C89C=CC(C(=O)C8(C7CCC6(C(=O)O4)O)C)OO9)O)OCC2C(=O)O3)C	558.50	unknown	via CMAUP database
(1R,2S,5S,8S,9R,15S,17R,18R,21S,24R,26S,27S)-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,13-diene-4,10,22,29-tetrone	56683730	Click to see CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8=CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)O)OCC2C(=O)O3)C	526.50	unknown	via CMAUP database
(1R,2S,5S,8S,9S,14R,15R,17R,18R,21S,24R,26S,27S)-14-chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone	10769263	Click to see CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)Cl)O)OCC2C(=O)O3)C	563.00	unknown	via CMAUP database
5,6-Epxoyphysalin B	49864133	Click to see CC12CC3C4(C56C1C(=O)C(O5)(C7CC8C9(O8)CC=CC(=O)C9(C7CCC6(C(=O)O4)O)C)OCC2C(=O)O3)C	526.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
[(3S,8S,10R,12R,13S,14R,17S)-17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate	5320138	Click to see CC(=O)C1CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C5=CN=CC=C5)C)O	469.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid acids
Sebiferic acid	5321206	Click to see CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC(C4(C)CCC(=O)O)C(=C)C)C)C)C	440.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal alkaloids / Solanidines and derivatives
Solanidine	65727	Click to see CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C	397.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal alkaloids / Spirosolanes and derivatives
(1R,2S,3'R,4S,6R,7S,8R,9S,10R,12S,13R,16S)-10,16-dihydroxy-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,6'-piperidine]-3'-carboxylic acid	21573758	Click to see CC1C2C(CC3C2(C(CC4C3CC=C5C4(CCC(C5)O)C)O)C)OC16CCC(CN6)C(=O)O	459.60	unknown	via CMAUP database
(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13R,16S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-10,16-diol	21573757	Click to see CC1C2C(CC3C2(C(CC4C3CC=C5C4(CCC(C5)O)C)O)C)OC16CCC(CN6)CO	445.60	unknown	via CMAUP database
(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-10,16-diol	21573755	Click to see CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CC=C6C5(CCC(C6)O)C)O)C)C)NC1	429.60	unknown	via CMAUP database
N-Methylsolasodine	21573751	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)N(C1)C	427.70	unknown	via CMAUP database
Solasodine	442985	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1	413.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
12-Hydroxysolasonine	21573761	Click to see CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)O)C)C)NC1	900.10	unknown	via CMAUP database
CID 21573759	21573759	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)NC1	721.90	unknown	via CMAUP database
Degalactotigonin	162401	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1	1035.20	unknown	via CMAUP database
Nigrumnin I	10820113	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1	1151.30	unknown	via CMAUP database
Nigrumnin II	10630134	Click to see CC1CCC2(C(C3(C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)O)C)OC1	1181.30	unknown	via CMAUP database
Solamargine	73611	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1	868.10	unknown	via CMAUP database
Solanigroside C	16083118	Click to see CC1CC(C2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)O)C)OC1=O)O	1111.20	unknown	via CMAUP database
Solanigroside D	16083121	Click to see CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1=O)O	1181.30	unknown	via CMAUP database
Solanigroside E	16083119	Click to see CC1CC(C2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)O)C)OC1=O)O	1197.30	unknown	via CMAUP database
Solanigroside G	16083120	Click to see CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)O)C)OC1	1051.20	unknown	via CMAUP database
Solanigroside H	16083123	Click to see CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)O)C)OC1	1047.20	unknown	via CMAUP database
Solasonine	119247	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1	884.10	unknown	via CMAUP database
Uttronin B	102058012	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)OC1	722.90	unknown	via CMAUP database
Uttroside B	44566638	Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O	1215.30	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(3R,8R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene	50930798	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C)C)C)C(C)C	410.70	unknown	via CMAUP database
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	122544	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
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/10.1142/S0192415X87000151
24-Ethylcholest-5-en-3beta-ol	22012	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1201/B14669-29
Beta-Sitosterol	222284	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
Clionasterol	457801	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
Poriferasterol	5281330	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
Stigmasterol	5280794	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
> Nucleosides, nucleotides, and analogues / Purine nucleosides
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	6802	Click to see C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N	283.24	unknown	via CMAUP database
Adenosine	60961	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	via CMAUP database
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides
1-((2r,5r)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione	45356795	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O	244.20	unknown	via CMAUP database
> Organic acids and derivatives / Carbothioic S-acids
Pentadecanethioic acid	18413781	Click to see CCCCCCCCCCCCCCC(=O)S	258.50	unknown	via CMAUP database
> 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 / Alanine and derivatives
(2S)-2-azaniumylpropanoate	7311724	Click to see CC(C(=O)[O-])[NH3+]	89.09	unknown	via CMAUP database
2-Ammoniopropanoate	57383916	Click to see CC(C(=O)[O-])[NH3+]	89.09	unknown	via CMAUP database
D-alanine	71080	Click to see CC(C(=O)O)N	89.09	unknown	via CMAUP database
DL-Alanine-15N	51283	Click to see CC(C(=O)O)N	90.09	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid esters
(2R,3S,4R,5R)-6-[2-(dimethylazaniumyl)acetyl]oxy-2,3,4,5-tetrahydroxyhexanoate	52897285	Click to see C[NH+](C)CC(=O)OCC(C(C(C(C(=O)[O-])O)O)O)O	281.26	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-Azaniumylacetate	5257127	Click to see C(C(=O)[O-])[NH3+]	75.07	unknown	via CMAUP database
Piperidine-2-carboxylate	25200477	Click to see C1CC[NH2+]C(C1)C(=O)[O-]	129.16	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / D-alpha-amino acids
(2R,3S)-2-amino-3-hydroxybutanoate	6995277	Click to see CC(C(C(=O)[O-])[NH3+])O	119.12	unknown	via CMAUP database
(2R)-piperidin-1-ium-2-carboxylate	6931662	Click to see C1CC[NH2+]C(C1)C(=O)[O-]	129.16	unknown	via CMAUP database
D-ornithine	71082	Click to see C(CC(C(=O)O)N)CN	132.16	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
(2S,3R)-2-azaniumyl-3-hydroxybutanoate	6971019	Click to see CC(C(C(=O)[O-])[NH3+])O	119.12	unknown	via CMAUP database
(2S)-2,5-diaminopentanoate;hydron	88747248	Click to see [H+].C(CC(C(=O)[O-])N)CN	132.16	unknown	via CMAUP database
L-ornithinium(1+)	59565831	Click to see C(CC(C(=O)O)N)C[NH3+]	133.17	unknown	via CMAUP database
L-ornithinium(2+)	449468	Click to see C(CC(C(=O)O)[NH3+])C[NH3+]	134.18	unknown	via CMAUP database
L-pipecolate	6931663	Click to see C1CC[NH2+]C(C1)C(=O)[O-]	129.16	unknown	via CMAUP database
L-threoninate	5460797	Click to see CC(C(C(=O)[O-])N)O	118.11	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Asparagine and derivatives
(2S)-4-amino-2-ammonio-4-oxobutanoate	6992089	Click to see C(C(C(=O)[O-])[NH3+])C(=O)N	132.12	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives
(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid	6006	Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	473.40	unknown	via CMAUP database
(2S)-2-[[4-[[(6R)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid	135548	Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	473.40	unknown	via CMAUP database
CID 6037	6037	Click to see C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N	441.40	unknown	https://doi.org/10.1142/S0192415X87000151 https://doi.org/10.1201/B14669-29 https://doi.org/10.1111/J.1365-2362.2006.01676.X
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
(2S)-pyrrolidin-1-ium-2-carboxylate	6971047	Click to see C1CC([NH2+]C1)C(=O)[O-]	115.13	unknown	via CMAUP database
D-proline	8988	Click to see C1CC(NC1)C(=O)O	115.13	unknown	via CMAUP database
DL-Proline	614	Click to see C1CC(NC1)C(=O)O	115.13	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Serine and derivatives
(2R)-2-ammonio-3-hydroxypropanoate	6857549	Click to see C(C(C(=O)[O-])[NH3+])O	105.09	unknown	via CMAUP database
Serine	5951	Click to see C(C(C(=O)O)N)O	105.09	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives
(2S)-2-amino-3-methylbutanoate;hydron	88733505	Click to see [H+].CC(C)C(C(=O)[O-])N	117.15	unknown	via CMAUP database
D-Valine	71563	Click to see CC(C)C(C(=O)O)N	117.15	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives
4-Aminobutanoate	6992099	Click to see C(CC(=O)[O-])C[NH3+]	103.12	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids
N-Oleoylsarcosine	5879967	Click to see CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O	353.50	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
Butyl acetate	31272	Click to see CCCCOC(=O)C	116.16	unknown	via CMAUP database
Ethyl Acetate	8857	Click to see CCOC(=O)C	88.11	unknown	via CMAUP database
Ethyl acetate-1-13C	12206859	Click to see CCOC(=O)C	89.10	unknown	via CMAUP database
Hexyl acetate	8908	Click to see CCCCCCOC(=O)C	144.21	unknown	via CMAUP database
Isobutyl isobutyrate	7351	Click to see CC(C)COC(=O)C(C)C	144.21	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
3-(Dimethyl-Lambda~4~-Sulfanyl)propanoic Acid	23737	Click to see C[S+](C)CCC(=O)O	135.21	unknown	via CMAUP database
Hydron;acetate	21980959	Click to see [H+].CC(=O)[O-]	60.05	unknown	via CMAUP database
Propionic Acid	1032	Click to see CCC(=O)O	74.08	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
(E)-but-2-enedioate;hydron	21883788	Click to see [H+].[H+].C(=CC(=O)[O-])C(=O)[O-]	116.07	unknown	via CMAUP database
Butanedioate;hydron	21952380	Click to see [H+].[H+].C(CC(=O)[O-])C(=O)[O-]	118.09	unknown	via CMAUP database
Dimethyl camphorate	348846	Click to see CC1(C(CCC1(C)C(=O)OC)C(=O)OC)C	228.28	unknown	via CMAUP database
Hydron;propanedioate	23511544	Click to see [H+].[H+].C(C(=O)[O-])C(=O)[O-]	104.06	unknown	via CMAUP database
Succinic Acid	1110	Click to see C(CC(=O)O)C(=O)O	118.09	unknown	https://doi.org/10.1201/B14669-29 https://doi.org/10.1142/S0192415X87000151
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
2-(Carboxymethyl)-2-hydroxybutanedioate;hydron	88113319	Click to see [H+].[H+].C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O	192.12	unknown	via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
(2S)-2-Hydroxybutanedioic acid	222656	Click to see C(C(C(=O)O)O)C(=O)O	134.09	unknown	https://doi.org/10.1248/CPB.42.2565
D-malate	92824	Click to see C(C(C(=O)O)O)C(=O)O	134.09	unknown	via CMAUP database
Hydron;2-hydroxybutanedioate	20130941	Click to see [H+].[H+].C(C(C(=O)[O-])O)C(=O)[O-]	134.09	unknown	via CMAUP database
> Organic acids and derivatives / Keto acids and derivatives / Beta-keto acids and derivatives
Butanoic acid, 2-(diethoxyphosphinyl)-3-oxo-, ethyl ester	3032451	Click to see CCOC(=O)C(C(=O)C)P(=O)(OCC)OCC	266.23	unknown	via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines
(1,1,2,2-Tetradeuterio-2-hydroxyethyl)-tris(trideuteriomethyl)azanium	10884620	Click to see C[N+](C)(C)CCO	117.25	unknown	via CMAUP database
> Organic oxygen compounds / Organic oxides
Safranal	61041	Click to see CC1=C(C(CC=C1)(C)C)C=O	150.22	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds
Heptylidyneoxidanium	53630757	Click to see [CH2-]CCCCCC#[O+]	112.17	unknown	via CMAUP database
Methylhydroxycarbene	11262180	Click to see C[C]O	44.05	unknown	via CMAUP database
> 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
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid	9476	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
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/10.1093/CHROMSCI/45.6.354
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
Quinic acid	6508	Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O	192.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
1-Butanol	263	Click to see CCCCO	74.12	unknown	via CMAUP database
1-Pentanol	6276	Click to see CCCCCO	88.15	unknown	via CMAUP database
3-Methyl-2-buten-1-OL	11173	Click to see CC(=CCO)C	86.13	unknown	via CMAUP database
4-Methyl-1-pentanol	12296	Click to see CC(C)CCCO	102.17	unknown	via CMAUP database
Ethanol	702	Click to see CCO	46.07	unknown	via CMAUP database
Isobutanol	6560	Click to see CC(C)CO	74.12	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
(3R)-1-hexen-3-ol	6992421	Click to see CCCC(C=C)O	100.16	unknown	via CMAUP database
1-Hexen-3-OL	20928	Click to see CCCC(C=C)O	100.16	unknown	via CMAUP database
2-Hydroxycyclopentadecanone	543400	Click to see C1CCCCCCC(C(=O)CCCCCC1)O	240.38	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
Inositol	892	Click to see C1(C(C(C(C(C1O)O)O)O)O)O	180.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
2-Methyl-3-buten-2-OL	8257	Click to see CC(C)(C=C)O	86.13	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
Ethyl 4-O-(3-O-methyl-6-deoxy-beta-D-glucopyranosyl)-3-O-methyl-2,6-dideoxy-alpha-D-glucopyranoside	101490302	Click to see CCOC1CC(C(C(O1)C)OC2C(C(C(C(O2)C)O)OC)O)OC	350.40	unknown	via CMAUP database
Ethyl 4-O-(3-O-methyl-6-deoxy-beta-D-glucopyranosyl)-3-O-methyl-2,6-dideoxy-beta-D-glucopyranoside	101490301	Click to see CCOC1CC(C(C(O1)C)OC2C(C(C(C(O2)C)O)OC)O)OC	350.40	unknown	via CMAUP database
Hex-2-ulofuranosyl hexopyranoside	1115	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://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
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/10.1142/S0192415X87000151 https://doi.org/10.1201/B14669-29 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
D-Fructose	2723872	Click to see C1C(C(C(C(O1)(CO)O)O)O)O	180.16	unknown	via CMAUP database
> 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	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives / Glucuronic acid derivatives
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid	84740	Click to see C(=O)C(C(C(C(C(=O)O)O)O)O)O	194.14	unknown	via CMAUP database
D-Galacturonic Acid	439215	Click to see C1(C(C(OC(C1O)O)C(=O)O)O)O	194.14	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
Butyraldehyde	261	Click to see CCCC=O	72.11	unknown	via CMAUP database
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-Methylfurfural	12097	Click to see CC1=CC=C(O1)C=O	110.11	unknown	via CMAUP database
Furfural	7362	Click to see C1=COC(=C1)C=O	96.08	unknown	via CMAUP database
Pyrrole-2-carboxaldehyde	13854	Click to see C1=CNC(=C1)C=O	95.10	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
(E,Z)-2,4-Decadienal	6427087	Click to see CCCCCC=CC=CC=O	152.23	unknown	via CMAUP database
(Z)-2-Decenal	5354834	Click to see CCCCCCCC=CC=O	154.25	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-Decenal	5283345	Click to see CCCCCCCC=CC=O	154.25	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-Octenal	5283324	Click to see CCCCCC=CC=O	126.20	unknown	via CMAUP database
2-Octenal, (2Z)-	6427080	Click to see CCCCCC=CC=O	126.20	unknown	via CMAUP database
2,4-Decadienal	5283349	Click to see CCCCCC=CC=CC=O	152.23	unknown	via CMAUP database
Deca-2,4-dienal	16899	Click to see CCCCCC=CC=CC=O	152.23	unknown	via CMAUP database
Decanal	8175	Click to see CCCCCCCCCC=O	156.26	unknown	via CMAUP database
Dodecanal	8194	Click to see CCCCCCCCCCCC=O	184.32	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
Tiglic aldehyde	5321950	Click to see CC=C(C)C=O	84.12	unknown	via CMAUP database
trans-Tiglaldehyde	6028462	Click to see CC=C(C)C=O	84.12	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
1-Penten-3-one, 4-methyl-	74152	Click to see CC(C)C(=O)C=C	98.14	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha-acyloxy carbonyl compounds / Alpha-acyloxy ketones
Acetoxyacetone	11593	Click to see CC(=O)COC(=O)C	116.11	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones / Aryl alkyl ketones
2-Acetylpyrrole	14079	Click to see CC(=O)C1=CC=CN1	109.13	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
2-Cyclopenten-1-one	13588	Click to see C1CC(=O)C=C1	82.10	unknown	via CMAUP database
2-Methyl-2-cyclopenten-1-one	14266	Click to see CC1=CCCC1=O	96.13	unknown	via CMAUP database
Cyclopentadecanone	10409	Click to see C1CCCCCCCC(=O)CCCCCC1	224.38	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
Isophorone	6544	Click to see CC1=CC(=O)CC(C1)(C)C	138.21	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
2-Heptanone	8051	Click to see CCCCCC(=O)C	114.19	unknown	via CMAUP database
2-Methyldodecan-5-one	5319599	Click to see CCCCCCCC(=O)CCC(C)C	198.34	unknown	via CMAUP database
2-Nonanone	13187	Click to see CCCCCCCC(=O)C	142.24	unknown	via CMAUP database
2-Undecanone	8163	Click to see CCCCCCCCCC(=O)C	170.29	unknown	via CMAUP database
4-Octanone	11516	Click to see CCCCC(=O)CCC	128.21	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-Undecanone	13561	Click to see CCCCCC(=O)CCCCC	170.29	unknown	via CMAUP database
Solanone	6451337	Click to see CC(C)C(CCC(=O)C)C=CC(=C)C	194.31	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones / Beta-hydroxy ketones
Diacetone Alcohol	31256	Click to see CC(=O)CC(C)(C)O	116.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
1-(2-Hydroxyphenyl)pentan-1-one	241635	Click to see CCCCC(=O)C1=CC=CC=C1O	178.23	unknown	via CMAUP database
2-Hydroxy-1-(4-hydroxyphenyl)ethanone	440082	Click to see C1=CC(=CC=C1C(=O)CO)O	152.15	unknown	via CMAUP database
2-Pentanoylbenzoic acid	5315165	Click to see CCCCC(=O)C1=CC=CC=C1C(=O)O	206.24	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
3',4'-Dimethylacetophenone	77193	Click to see CC1=C(C=C(C=C1)C(=O)C)C	148.20	unknown	via CMAUP database
Butyrophenone	10315	Click to see CCCC(=O)C1=CC=CC=C1	148.20	unknown	via CMAUP database
Resacetophenone	6990	Click to see CC(=O)C1=C(C=C(C=C1)O)O	152.15	unknown	via CMAUP database
Valerophenone	66093	Click to see CCCCC(=O)C1=CC=CC=C1	162.23	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Enols
Dodecenol	6443191	Click to see CCCCCCCCCCC=CO	184.32	unknown	via CMAUP database
> Organoheterocyclic compounds / Azolidines / Isoxazolidines / Phenylisoxazolidines
(4Z)-2-methyl-4-(5-phenyl-1,2-oxazolidin-3-ylidene)cyclohexa-2,5-dien-1-one	49771170	Click to see CC1=CC(=C2CC(ON2)C3=CC=CC=C3)C=CC1=O	253.29	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzodioxoles
Isosafrole	637796	Click to see CC=CC1=CC2=C(C=C1)OCO2	162.18	unknown	https://doi.org/10.1142/S0192415X87000151
Myristicin	4276	Click to see COC1=CC(=CC2=C1OCO2)CC=C	192.21	unknown	via CMAUP database
Safrole	5144	Click to see C=CCC1=CC2=C(C=C1)OCO2	162.18	unknown	https://doi.org/10.1201/B14669-29 https://doi.org/10.1142/S0192415X87000151
> Organoheterocyclic compounds / Benzofurans / Benzofuranones
(+)-Sinaspirolide	163184335	Click to see CCCC=C1C23CCC=CC2(C(C34C5=CC=CC=C5C(=O)O4)CCC)C(=O)O1	378.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
(1'R,2'Z,3S,7'S,8'R)-2'-butylidene-8'-propylspiro[2-benzofuran-3,9'-3-oxatricyclo[5.2.2.01,5]undec-5-ene]-1,4'-dione	11689387	Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C(C34C5=CC=CC=C5C(=O)O4)CCC	378.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
(1'S,3R,6'R,9'Z,11'R)-9'-butylidene-11'-propylspiro[2-benzofuran-3,10'-8-oxatricyclo[4.3.2.01,6]undec-4-ene]-1,7'-dione	163187995	Click to see CCCC=C1C23CCC=CC2(C(C34C5=CC=CC=C5C(=O)O4)CCC)C(=O)O1	378.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
(10'Z)-10'-butylidene-12'-propylspiro[2-benzofuran-3,11'-9-oxatricyclo[5.3.2.01,7]dodec-5-ene]-1,8'-dione	44575264	Click to see CCCC=C1C23CCCC=CC2(C(C34C5=CC=CC=C5C(=O)O4)CCC)C(=O)O1	392.50	unknown	via CMAUP database
(2'Z,8'R)-2'-butylidene-8'-propylspiro[2-benzofuran-3,9'-3-oxatricyclo[5.2.2.01,5]undec-5-ene]-1,4'-dione	59146369	Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C(C34C5=CC=CC=C5C(=O)O4)CCC	378.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2615640/
(3S)-Butylphthalide	11116832	Click to see CCCCC1C2=CC=CC=C2C(=O)O1	190.24	unknown	via CMAUP database
(9'Z)-9'-butylidene-11'-propylspiro[2-benzofuran-3,10'-8-oxatricyclo[4.3.2.01,6]undec-4-ene]-1,7'-dione	59146374	Click to see CCCC=C1C23CCC=CC2(C(C34C5=CC=CC=C5C(=O)O4)CCC)C(=O)O1	378.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2615640/
[(2R)-4-[(1S)-3-oxo-1H-2-benzofuran-1-yl]butan-2-yl] (Z)-2-methylbut-2-enoate	163190353	Click to see CC=C(C)C(=O)OC(C)CCC1C2=CC=CC=C2C(=O)O1	288.34	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
[(2S)-4-[(1S)-3-oxo-1H-2-benzofuran-1-yl]butan-2-yl] (Z)-2-methylbut-2-enoate	162855599	Click to see CC=C(C)C(=O)OC(C)CCC1C2=CC=CC=C2C(=O)O1	288.34	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
10-Angeloylbutylphthalide	11572826	Click to see CC=C(C)C(=O)OC(C)CCC1C2=CC=CC=C2C(=O)O1	288.34	unknown	via CMAUP database
4-(3-oxo-1H-2-benzofuran-1-yl)butan-2-yl 2-methylbut-2-enoate	73015837	Click to see CC=C(C)C(=O)OC(C)CCC1C2=CC=CC=C2C(=O)O1	288.34	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
9'-Butylidene-11'-propylspiro[2-benzofuran-3,10'-8-oxatricyclo[4.3.2.01,6]undec-4-ene]-1,7'-dione	73072032	Click to see CCCC=C1C23CCC=CC2(C(C34C5=CC=CC=C5C(=O)O4)CCC)C(=O)O1	378.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
Ansaspirolide	44575265	Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C(C34C5=CC=CC=C5C(=O)O4)CCC	378.50	unknown	via CMAUP database
Butylphthalide	61361	Click to see CCCCC1C2=CC=CC=C2C(=O)O1	190.24	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5 https://doi.org/10.1002/(SICI)1099-1565(199811/12)9:6<283::AID-PCA419>3.0.CO;2-9
> Organoheterocyclic compounds / Benzofurans / Benzofuranones / Phthalic anhydrides
Phthalic anhydride	6811	Click to see C1=CC=C2C(=C1)C(=O)OC2=O	148.11	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzofurans / Dibenzofurans
Dibenzofuran	568	Click to see C1=CC=C2C(=C1)C3=CC=CC=C3O2	168.19	unknown	via CMAUP database
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidones
Uracil	1174	Click to see C1=CNC(=O)NC1=O	112.09	unknown	https://doi.org/10.1201/B14669-29 https://doi.org/10.1142/S0192415X87000151
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
Levistolide A	70698035	Click to see CCCC=C1C2=C(C3C(CC2)C4CCC35C(=C4)C(=O)OC5=CCCC)C(=O)O1	380.50	unknown	https://doi.org/10.1365/S10337-009-1222-9 https://doi.org/10.1016/S0021-9673(98)00201-5
Z-6,7-Epoxyligustilide	5317139	Click to see CCCC=C1C2=C(C3C(O3)CC2)C(=O)O1	206.24	unknown	via CMAUP database
> Organoheterocyclic compounds / Epoxides
1,2-Epoxyhexadecane	23741	Click to see CCCCCCCCCCCCCCC1CO1	240.42	unknown	via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Methylfuran	10797	Click to see CC1=CC=CO1	82.10	unknown	via CMAUP database
2-Pentylfuran	19602	Click to see CCCCCC1=CC=CO1	138.21	unknown	via CMAUP database
Furan, 3-methyl-2-(3-methyl-2-butenyl)-	84825	Click to see CC1=C(OC=C1)CC=C(C)C	150.22	unknown	via CMAUP database
Furfuryl acetate	12170	Click to see CC(=O)OCC1=CC=CO1	140.14	unknown	via CMAUP database
Furfuryl alcohol	7361	Click to see C1=COC(=C1)CO	98.10	unknown	via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines
[(2S,5S)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-2-methyl-tetrahydrofuran-3-yl]methanol	45102554	Click to see CC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)(CO)CO	279.30	unknown	via CMAUP database
Adenine	190	Click to see C1=NC2=NC=NC(=C2N1)N	135.13	unknown	https://doi.org/10.1142/S0192415X87000151 https://doi.org/10.1201/B14669-29
> Organoheterocyclic compounds / Indoles and derivatives / Indoles
Indole	798	Click to see C1=CC=C2C(=C1)C=CN2	117.15	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
2-(1H-Indol-3-yl)ethyl acetate	588705	Click to see CC(=O)OCCC1=CNC2=CC=CC=C21	203.24	unknown	via CMAUP database
> Organoheterocyclic compounds / Isobenzofurans
(1S,2Z,7R,8R,9R)-2-butylidene-9-propylspiro[3-oxatricyclo[5.2.2.01,5]undec-5-ene-8,3'-4,5-dihydro-2-benzofuran]-1',4-dione	14583650	Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C4(C3CCC)C5=C(C=CCC5)C(=O)O4	380.50	unknown	https://doi.org/10.1016/0031-9422(90)85426-G
(3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one	5321250	Click to see CCCCC1(C2=C(C=CCC2)C(=O)O1)O	208.25	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
(3Z,6S,7R)-3-butylidene-6-hydroxy-7-methoxy-4,5,6,7-tetrahydro-2-benzofuran-1-one	163025235	Click to see CCCC=C1C2=C(C(C(CC2)O)OC)C(=O)O1	238.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
(6R,7R)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one	131954670	Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1	224.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2615640/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/ https://doi.org/10.1016/S0021-9673(98)00201-5
(6R,7S)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one	131874235	Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1	224.25	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one	5877292	Click to see CCCC=C1C2=C(C=CCC2)C(=O)O1	190.24	unknown	https://doi.org/10.1016/J.PBB.2007.08.006 https://doi.org/10.1016/S0021-9673(98)00201-5 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2615640/ https://doi.org/10.1365/S10337-009-1222-9 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
1,4-Cyclohexadiene-1,2-dicarboxylic anhydride	138348	Click to see C1C=CCC2=C1C(=O)OC2=O	150.13	unknown	via CMAUP database
1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, (3S,3aS)-	12315453	Click to see CCCCC1C2CCCC=C2C(=O)O1	194.27	unknown	via CMAUP database
2-Butylidene-9-propylspiro[3-oxatricyclo[5.2.2.01,5]undec-5-ene-8,3'-4,5-dihydro-2-benzofuran]-1',4-dione	72733121	Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C4(C3CCC)C5=C(C=CCC5)C(=O)O4	380.50	unknown	https://doi.org/10.1016/0031-9422(90)85426-G
3-butyl-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one	5315566	Click to see CCCCC1C2=C(CCCC2)C(=O)O1	194.27	unknown	via CMAUP database
3-Butylidene-6-hydroxy-7-methoxy-4,5,6,7-tetrahydro-2-benzofuran-1-one	75048850	Click to see CCCC=C1C2=C(C(C(CC2)O)OC)C(=O)O1	238.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one	3025856	Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1	224.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
3-N-Butyl-4,5-dihydrophthalide	173843	Click to see CCCCC1C2=C(C=CCC2)C(=O)O1	192.25	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
Angelicide	5316848	Click to see CCCC=C1C2=C(C3C(CC2)C(C34C5=C(C=CCC5)C(=O)O4)CCC)C(=O)O1	380.50	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
Butylidene dihydrophthalide	91752777	Click to see CCCC=C1C2CC=CC=C2C(=O)O1	190.24	unknown	via CMAUP database
cis-Ligustilide	529865	Click to see CCCC=C1C2=C(C=CCC2)C(=O)O1	190.24	unknown	https://doi.org/10.1007/BF02977650 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6257054/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
Cnidilide	160710	Click to see CCCCC1C2CCC=CC2C(=O)O1	194.27	unknown	via CMAUP database
Ligustilide	5319022	Click to see CCCC=C1C2=C(C=CCC2)C(=O)O1	190.24	unknown	https://doi.org/10.1365/S10337-009-1222-9 https://doi.org/10.1016/S1570-0232(02)00403-8 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2615640/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6257054/ https://doi.org/10.1016/J.PBB.2007.08.006 https://doi.org/10.1142/S0192415X87000151 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2614662/ https://doi.org/10.1201/B14669-29 https://doi.org/10.1016/S0021-9673(98)00201-5
rel-(6R,7R,Z)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydroisobenzofuran-1(3H)-one	13965087	Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1	224.25	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
Riligustilide	6442656	Click to see CCCC=C1C2=C(C3C(CC2)C(C34C5=C(C=CCC5)C(=O)O4)CCC)C(=O)O1	380.50	unknown	via CMAUP database
Sedanolide	5018391	Click to see CCCCC1C2CCCC=C2C(=O)O1	194.27	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
Senkyunolide A	3085257	Click to see CCCCC1C2=C(C=CCC2)C(=O)O1	192.25	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5 https://doi.org/10.1248/CPB.53.1480 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2614662/
Senkyunolide D	11264524	Click to see CCCC(=O)C1(C2=C(C=CCC2)C(=O)O1)O	222.24	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
Senkyunolide F	11241196	Click to see CCC(C=C1C2=C(C=CCC2)C(=O)O1)O	206.24	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
Senkyunolide G	10013283	Click to see CCCCC1(C2=C(C=CCC2)C(=O)O1)O	208.25	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
Senkyunolide H	5321251	Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1	224.25	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
Senkyunolide I	11521428	Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1	224.25	unknown	via CMAUP database
Senkyunolide K	5321252	Click to see CCCCC1C2=C(C=CCC2O)C(=O)O1	208.25	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
Tokinolide B	11090206	Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C(C34C5=C(C=CCC5)C(=O)O4)CCC	380.50	unknown	via CMAUP database
> Organoheterocyclic compounds / Isocoumarans / Isobenzofuranones
(Z)-3-butylidene-7-hydroxyphthalide	5281559	Click to see CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1	204.22	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
3-Butylidene-7-hydroxy-2-benzofuran-1-one	442509	Click to see CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1	204.22	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
3-Butylidenephthalide	642376	Click to see CCCC=C1C2=CC=CC=C2C(=O)O1	188.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
Butylidene phthalide	62368	Click to see CCCC=C1C2=CC=CC=C2C(=O)O1	188.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1804119/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/ https://doi.org/10.1055/S-2006-962742
Butylidenephthalide	5352899	Click to see CCCC=C1C2=CC=CC=C2C(=O)O1	188.22	unknown	via CMAUP database
Senkyunolide C	642374	Click to see CCCC=C1C2=C(C=CC(=C2)O)C(=O)O1	204.22	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
Senkyunolide E	11830530	Click to see CCC(C=C1C2=CC=CC=C2C(=O)O1)O	204.22	unknown	https://doi.org/10.1016/S0021-9673(98)00201-5
> Organoheterocyclic compounds / Isocoumarans / Isobenzofuranones / Phthalides
Phthalide	6885	Click to see C1C2=CC=CC=C2C(=O)O1	134.13	unknown	via CMAUP database
> Organoheterocyclic compounds / Isoindoles and derivatives / Isoindolines / Isoindolones / Phthalimides
N-Methylphthalimide	11074	Click to see CN1C(=O)C2=CC=CC=C2C1=O	161.16	unknown	via CMAUP database
> Organoheterocyclic compounds / Lactones / Beta propiolactones
(-)-beta-Butyrolactone	6998969	Click to see CC1CC(=O)O1	86.09	unknown	via CMAUP database
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(5S)-5-hexyloxolan-2-one	7057904	Click to see CCCCCCC1CCC(=O)O1	170.25	unknown	via CMAUP database
(R)-(+)-gamma-Nonalactone	11094875	Click to see CCCCCC1CCC(=O)O1	156.22	unknown	via CMAUP database
(R)-gamma-Decalactone	183870	Click to see CCCCCCC1CCC(=O)O1	170.25	unknown	via CMAUP database
cis-4-Hydroxy-3-methylundecanoic acid lactone	91701100	Click to see CCCCCCCC1C(CC(=O)O1)C	198.30	unknown	via CMAUP database
gamma-Butyrolactone	7302	Click to see C1CC(=O)OC1	86.09	unknown	via CMAUP database
gamma-Decalactone	12813	Click to see CCCCCCC1CCC(=O)O1	170.25	unknown	via CMAUP database
Gamma-nonalactone	7710	Click to see CCCCCC1CCC(=O)O1	156.22	unknown	via CMAUP database
> Organoheterocyclic compounds / Oxepanes
(+)-cis-Limonene 1,2-epoxide	6432653	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
Limonene oxide	91496	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
Limonene oxide, (-)-	10953718	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
Limonene oxide, trans-(-)-	8029780	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
Limonene-1,2-epoxide	441245	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
> Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Folic acids and derivatives / Folic acids
2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid	3405	Click to see C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N	441.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Tetrahydrofolic acids and derivatives / Tetrahydrofolic acids
(2R)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid	54575	Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	473.40	unknown	via CMAUP database
(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid	149436	Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	473.40	unknown	via CMAUP database
2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid	143	Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	473.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyrans
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-5-ene	523035	Click to see CC1(C2CCC(O1)(C=C2)C)C	152.23	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 / Pyridines and derivatives / Hydropyridines / Dihydropyridines
4-Hydroxypyridine	12290	Click to see C1=CNC=CC1=O	95.10	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
Nicotinic acid	938	Click to see C1=CC(=CN=C1)C(=O)O	123.11	unknown	https://doi.org/10.1142/S0192415X87000151 https://doi.org/10.1201/B14669-29
> Organoheterocyclic compounds / Quinolines and derivatives / Furanoquinolines
Dictamnine	68085	Click to see COC1=C2C=COC2=NC3=CC=CC=C31	199.20	unknown	via CMAUP database
> Organoheterocyclic compounds / Quinolines and derivatives / Quinolones and derivatives / Hydroquinolones
1-Methyl-2-dodecyl-4(1H)-quinolone	5319601	Click to see CCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C	327.50	unknown	via CMAUP database
8-(2,3-Dihydroxy-3-methoxybutoxy)-4-methoxy-1-methylquinolin-2(1H)-one	16219364	Click to see CC(C(COC1=CC=CC2=C1N(C(=O)C=C2OC)C)O)(O)OC	323.34	unknown	via CMAUP database
> Organosulfur compounds / Isothiocyanates
(2R)-2-isothiocyanatobutane	5399110	Click to see CCC(C)N=C=S	115.20	unknown	via CMAUP database
> Organosulfur compounds / Sulfonyls / Sulfones
Dimethyl sulfone	6213	Click to see CS(=O)(=O)C	94.14	unknown	via CMAUP database
> Organosulfur compounds / Thioethers / Aryl thioethers
N-[(E)-butylideneamino]-2-methylsulfanylpyrimidin-4-amine	9562674	Click to see CCCC=NNC1=NC(=NC=C1)SC	210.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
2-[(4-Methoxyphenyl)methylidene]butanoate	53445188	Click to see CCC(=CC1=CC=C(C=C1)OC)C(=O)[O-]	205.23	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
[(2R,3S)-2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-methoxypropyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	162913341	Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC(C(C2=CC(=C(C=C2)O)OC)OC)O)O	404.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
[2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-methoxypropyl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	102184431	Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC(C(C2=CC(=C(C=C2)O)OC)OC)O)O	404.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
[2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-methoxypropyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	73043421	Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC(C(C2=CC(=C(C=C2)O)OC)OC)O)O	404.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-(4-hydroxyphenyl)ethyl ester, (E)-; 4-Hydroxyphenethyl trans-ferulate	20979927	Click to see COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=C(C=C2)O)O	314.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
3-(4-Hydroxy-3-methoxyphenyl)prop-2-enyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	173954	Click to see COC1=C(C=CC(=C1)C=CCOC(=O)C=CC2=CC(=C(C=C2)O)OC)O	356.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6253841/
4-Hydroxy-3-methoxycinnamic Acid Ethyl Ester	65133	Click to see CCOC(=O)C=CC1=CC(=C(C=C1)O)OC	222.24	unknown	via CMAUP database
Angeliferulate	11654315	Click to see COC1=C(C=CC(=C1)C=CC(=O)OCC(C(C2=CC(=C(C=C2)O)OC)OC)O)O	404.40	unknown	via CMAUP database
Coniferyl ferulate	6441913	Click to see COC1=C(C=CC(=C1)C=CCOC(=O)C=CC2=CC(=C(C=C2)O)OC)O	356.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6253841/ https://doi.org/10.1016/S0021-9673(98)00201-5
Ethyl caffeate	5317238	Click to see CCOC(=O)C=CC1=CC(=C(C=C1)O)O	208.21	unknown	via CMAUP database
Methyl 4-hydroxy-3,5-dimethoxycinnamate; Sinapic acid methyl ester	159894	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC	238.24	unknown	via CMAUP database
p-Hydroxyphenethyl trans-ferulate	637308	Click to see COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=C(C=C2)O)O	314.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid	2518	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	via CMAUP database
3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid	709	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/ https://doi.org/10.1111/J.1365-2362.2006.01676.X
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
Ferulic acid	445858	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://doi.org/10.1142/S0192415X87000151 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/ https://doi.org/10.1016/S1570-0232(02)00403-8 https://doi.org/10.1055/S-2006-962742 https://doi.org/10.1201/B14669-29 https://doi.org/10.1016/S0021-9673(98)00201-5 https://doi.org/10.1002/(SICI)1099-0801(199908)13:5<333::AID-BMC834>3.0.CO;2-P https://doi.org/10.1365/S10337-009-1222-9
> Phenylpropanoids and polyketides / Coumarins and derivatives
[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] (Z)-2-methylbut-2-enoate	5318735	Click to see CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	376.40	unknown	https://doi.org/10.1201/B14669-29
6-Methoxycoumarin	11240776	Click to see COC1=CC2=C(C=C1)OC(=O)C=C2	176.17	unknown	via CMAUP database
Angelicone	616303	Click to see CC(=CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C	288.29	unknown	https://doi.org/10.1142/S0192415X87000151 https://doi.org/10.1201/B14669-29
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-one	11953803	Click to see COC1=C(C=C2C(=C1)CCC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O	356.32	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Angular furanocoumarins
(-)-Columbianetin	442104	Click to see CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O	246.26	unknown	via CMAUP database
8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one	150888	Click to see CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O	246.26	unknown	via CMAUP database
Angelicin	10658	Click to see C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3	186.16	unknown	via CMAUP database
Columbianetin	92201	Click to see CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O	246.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens
2-Isopropenyl-2,3-dihydrofuro[3,2-g]chromen-7-one	611672	Click to see CC(=C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3	228.24	unknown	via CMAUP database
2-isopropyl-7H-furo[3,2-g]chromen-7-one	677576	Click to see CC(C)C1=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3	228.24	unknown	via CMAUP database
Isoimperatorin	68081	Click to see CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C	270.28	unknown	via CMAUP database
Marmesin	334704	Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O	246.26	unknown	via CMAUP database
Nodakenetin	26305	Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O	246.26	unknown	via CMAUP database
Nodakenin	73191	Click to see CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O	408.40	unknown	via CMAUP database
Pentosalen	10212	Click to see CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C	270.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1866289/
Psoralen	6199	Click to see C1=CC(=O)OC2=CC3=C(C=CO3)C=C21	186.16	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-methoxypsoralens
Bergapten	2355	Click to see COC1=C2C=CC(=O)OC2=CC3=C1C=CO3	216.19	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-methoxypsoralens
9-Methoxy-5-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one	53398727	Click to see CC(=CCOC1=CC(=O)OC2=C1C=C3C=COC3=C2OC)C	300.30	unknown	via CMAUP database
Methoxsalen	4114	Click to see COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2	216.19	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 6,7-dihydroxycoumarins
Esculetin	5281416	Click to see C1=CC(=O)OC2=CC(=C(C=C21)O)O	178.14	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
Demethylsuberosin	5316525	Click to see CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C	230.26	unknown	via CMAUP database
Peucedanone	5324562	Click to see CC(C)(C(=O)CC1=C(C=C2C(=C1)C=CC(=O)O2)O)O	262.26	unknown	via CMAUP database
Scopoletin	5280460	Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)O	192.17	unknown	via CMAUP database
Umbelliferone	5281426	Click to see C1=CC(=CC2=C1C=CC(=O)O2)O	162.14	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Angular pyranocoumarins
2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9-hydroxy-8,8-dimethyl-, (R)-	759302	Click to see CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C	246.26	unknown	via CMAUP database
Seselin	68229	Click to see CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C	228.24	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Linear pyranocoumarins
Decursin	442126	Click to see CC(=CC(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)C	328.40	unknown	via CMAUP database
Decursinol	442127	Click to see CC1(C(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C	246.26	unknown	via CMAUP database
Decursinol angelate	776123	Click to see CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C	328.40	unknown	via CMAUP database
Decursinol, (-)-	1150962	Click to see CC1(C(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C	246.26	unknown	via CMAUP database
Graveolone	177751	Click to see CC1(CC(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3)C	244.24	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / 2-prenylated flavones
Uralene	192490	Click to see CC(=CCC1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=CC(=C3O)O)OC)O)O)C	384.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-5-O-glycosides
Petunidin 3-(p-coumaroylrutinoside) 5-glucoside	101243377	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C(=C6)OC)O)O)O)O)O)O)O)OC(=O)C=CC7=CC=C(C=C7)O	933.80	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
4H-1-Benzopyran-4-one, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-8-methoxy-	5492077	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O	508.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
Phellatin	44258781	Click to see CC(C)(CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	534.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Rotenoid O-glycosides
2-[2-(12,13-Dihydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-6-yl)prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	74977379	Click to see COC1=C(C=C2C(=C1)C3(C(CO2)OC4=C(C3O)C=CC5=C4CC(O5)C(=C)COC6C(C(C(C(O6)CO)O)O)O)O)OC	590.60	unknown	https://doi.org/10.1365/S10337-009-1222-9 https://doi.org/10.1016/S0021-9673(98)00201-5
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
Eucalyptin	76573	Click to see CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=C(C=C3)OC)O	326.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 3-hydroxy,4-methoxyisoflavonoids
Calycosin	5280448	Click to see COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O	284.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Macrolides and analogues
(1R,13R)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one	137704811	Click to see CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O	280.36	unknown	https://doi.org/10.1365/S10337-009-1222-9
(1S,2E,7S,10E,12S,13R,15S)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one	5351204	Click to see CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O	280.36	unknown	https://doi.org/10.1365/S10337-009-1222-9
Brefeldin A (BFA)	6436187	Click to see CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O	280.36	unknown	via CMAUP database
Oxacyclohexadecan-2-one	235414	Click to see C1CCCCCCCOC(=O)CCCCCC1	240.38	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Ochratoxins and related substances
(R)N-(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)phenylalanine	4580	Click to see CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl	403.80	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Stilbenes
Dihydropinosylvin	442700	Click to see C1=CC=C(C=C1)CCC2=CC(=CC(=C2)O)O	214.26	unknown	via CMAUP database

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Angelica sinensis

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