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Atractylodes macrocephala

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Table of Contents

Details
Description
Synonyms
Common Names
Subtypes (subspecies, varieties, subvarieties, forms)
Germination/Propagation
Distribution
Links to other databases
Genome
Scientific Literature
Phytochemical Profile
Biological Material
Contributors
Collections

Details Top

Internal ID UUID643fcb75e3143210901278
Scientific name Atractylodes macrocephala
Authority Koidz.
First published in Fl. Symb. Orient.-Asiat. : 5 (1930)

Description Top

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Synonyms Top

Scientific name Authority First published in
Atractylis macrocephala var. hunanensis Ling Contr. Inst. Bot. Natl. Acad. Peiping 6: 66 (1949)
Atractylis lancea var. chinensis (Bunge) Kitam. Transactions of the Sapporo Natural History Society 16: 63 1940
Atractylis macrocephala (Koidz.) Nemoto Fl. Jap. Suppl. 743 (1936)

Common names Top

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Language Common/alternative name
Spanish atractylis nemotoiana
Japanese オオバナオケラ
Vietnamese bạch truật
Chinese 白术
Chinese 白朮

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
  • Asia-temperate
    • China
      • China South-central
      • China Southeast
    • Eastern Asia
      • Japan
      • Korea

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0000046429
UNII 61Q25TS7LH
Tropicos 2733155
KEW urn:lsid:ipni.org:names:182978-1
The Plant List gcc-144897
Open Tree Of Life 361559
NCBI Taxonomy 265785
IPNI 182978-1
iNaturalist 786049
GBIF 3122454
USDA GRIN 402529
Wikipedia Atractylodes_macrocephala
CMAUP NPO20902
PFAF Atractylodes macrocephala

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 and safety of Piwei Peiyuan Prescription in the treatment of chronic atrophic gastritis: A multicenter, double-blind, double-simulated, randomized, controlled clinical trial Zhang Y, Yang Q, Song B, Tang W, Yu F, Chen H, Ge P, Fang X, Pei B, Sun Q, Li X Medicine (Baltimore) 10-May-2024
PMCID:PMC11081569
doi:10.1097/MD.0000000000037981
PMID:38728508
Efficacy and safety of herbal medicine combined with acupuncture in pediatric epilepsy treatment: A meta-analysis of randomized controlled trials Su HW, Chen HT, Kao CL, Hung KC, Lin YT, Liu PH, Lin CM, Chen IW PLoS One 09-May-2024
PMCID:PMC11081325
doi:10.1371/journal.pone.0303201
PMID:38723054
Designing combinational herbal drugs based on target space analysis Woyessa AM, Bultum LE, Lee D BMC Complement Med Ther 01-May-2024
PMCID:PMC11064244
doi:10.1186/s12906-024-04455-9
PMID:38693521
Potential Effects of Traditional Chinese Medicine in Anti-Aging and Aging-Related Diseases: Current Evidence and Perspectives Ding X, Ma X, Meng P, Yue J, Li L, Xu L Clin Interv Aging 01-May-2024
PMCID:PMC11070163
doi:10.2147/CIA.S447514
PMID:38706635
Bibliometric and visualization analyses of cancer-related fatigue research published worldwide from 2001 to 2023 Li P, Wang Q, Feng L, Ding Z, Fan W Front Oncol 30-Apr-2024
PMCID:PMC11091377
doi:10.3389/fonc.2024.1338325
PMID:38746672
High-performance grating-like SERS substrate based on machine learning for ultrasensitive detection of Zexie-Baizhu decoction Zhou W, Han X, Wu Y, Shi G, Xu S, Wang M, Yuan W, Cui J, Li Z Heliyon 30-Apr-2024
PMCID:PMC11079318
doi:10.1016/j.heliyon.2024.e30499
PMID:38726156
Codonopsis radix: a review of resource utilisation, postharvest processing, quality assessment, and its polysaccharide composition Liang W, Sun J, Bai G, Qiu D, Li Q, Dong P, Chen Y, Guo F Front Pharmacol 30-Apr-2024
PMCID:PMC11091420
doi:10.3389/fphar.2024.1366556
PMID:38746010
Impacts of continuous cropping on the rhizospheric and endospheric microbial communities and root exudates of Astragalus mongholicus Zhou Q, Wang Y, Yue L, Ye A, Xie X, Zhang M, Tian Y, Liu Y, Turatsinze AN, Constantine U, Zhao X, Zhang Y, Wang R BMC Plant Biol 26-Apr-2024
PMCID:PMC11047024
doi:10.1186/s12870-024-05024-5
PMID:38671402
Yu Linzhu alleviates primary ovarian insufficiency in a rat model by improving proliferation and energy metabolism of granulosa cells through hif1α/cx43 pathway Ruan X, Wang P, Wei M, Yang Q, Dong X J Ovarian Res 26-Apr-2024
PMCID:PMC11046760
doi:10.1186/s13048-024-01408-1
PMID:38671471
The analysis of factors affecting medication adherence in patients with myasthenia gravis: a cross-sectional study Su Y, Wang X, Xing Y, Wang Z, Bu H, Cui X, Yang Y, Cai B Ther Adv Neurol Disord 22-Apr-2024
PMCID:PMC11036929
doi:10.1177/17562864231206877
PMID:38654744
The Roles of Polyamines in Intestinal Development and Function in Piglets Tan B, Xiao D, Wang J, Tan B Animals (Basel) 19-Apr-2024
PMCID:PMC11047586
doi:10.3390/ani14081228
PMID:38672376
Dietary supplementation of Chinese herbal medicines enhances the immune response and resistance of rainbow trout (Oncorhynchus mykiss) to infectious hematopoietic necrosis virus Wang Q, Pan Y, Huang J, Li Y, Wu S, Zhao L, Sun T, Kang Y, Liu Z Front Vet Sci 17-Apr-2024
PMCID:PMC11062137
doi:10.3389/fvets.2024.1341920
PMID:38694480
Bioactive components and potential mechanisms of Biqi Capsule in the treatment of osteoarthritis: based on chondroprotective and anti-inflammatory activity Jia Z, Zhang J, Yang X, Chen H, Wang Y, Francis OB, Li Y, Liu Z, Zhang S, Wang Q Front Pharmacol 17-Apr-2024
PMCID:PMC11061359
doi:10.3389/fphar.2024.1347970
PMID:38694911
Yiqigubiao pill treatment regulates Sirtuin 5 expression and mitochondrial function in chronic obstructive pulmonary disease Meng T, Li FS, Xu D, Jing J, Li Z, Maimaitiaili M, Bao YJ J Thorac Dis 16-Apr-2024
PMCID:PMC11087629
doi:10.21037/jtd-23-1115
PMID:38738261
Bupleurum in Treatment of Depression Disorder: A Comprehensive Review Ran S, Peng R, Guo Q, Cui J, Chen G, Wang Z Pharmaceuticals (Basel) 16-Apr-2024
PMCID:PMC11054835
doi:10.3390/ph17040512
PMID:38675471

Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
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Name PubChem ID Canonical SMILES MW Found in Proof
> Benzenoids / Benzene and substituted derivatives
1,2,3,5-Tetramethylbenzene 10695 Click to see CC1=CC(=C(C(=C1)C)C)C 134.22 unknown via CMAUP database
1,4-Diethylbenzene 7734 Click to see CCC1=CC=C(C=C1)CC 134.22 unknown via CMAUP database
Diphenylacetylene 10390 Click to see C1=CC=C(C=C1)C#CC2=CC=CC=C2 178.23 unknown via CMAUP database
Phenylethyl Alcohol 6054 Click to see C1=CC=C(C=C1)CCO 122.16 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
3,4-Bis(methoxycarbonyl)benzoic acid 610016 Click to see COC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OC 238.19 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid 370 Click to see C1=C(C=C(C(=C1O)O)O)C(=O)O 170.12 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyloxycarbonyls
Benzyloxycarbonylarginine 71055 Click to see C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)O 308.33 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Biphenyls and derivatives
Biphenyl 7095 Click to see C1=CC=C(C=C1)C2=CC=CC=C2 154.21 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Cumenes
o-Cymene 10703 Click to see CC1=CC=CC=C1C(C)C 134.22 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenyl methylcarbamates
5-Dimethylamino-4-tolyl methylcarbamate 26479 Click to see CC1=C(C=C(C=C1)OC(=O)NC)N(C)C 208.26 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
Butylated Hydroxytoluene 31404 Click to see CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C 220.35 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Styrenes
1,3-Divinylbenzene 7941 Click to see C=CC1=CC(=CC=C1)C=C 130.19 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Toluenes
1-Ethyl-2-methylbenzene 11903 Click to see CCC1=CC=CC=C1C 120.19 unknown via CMAUP database
Toluene 1140 Click to see CC1=CC=CC=C1 92.14 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Xylenes / m-Xylenes
1-Ethyl-2,4-dimethylbenzene 13403 Click to see CCC1=C(C=C(C=C1)C)C 134.22 unknown via CMAUP database
5-Ethyl-m-xylene 13627 Click to see CCC1=CC(=CC(=C1)C)C 134.22 unknown via CMAUP database
> Benzenoids / Fluorenes
9-Fluorenone 10241 Click to see C1=CC=C2C(=C1)C3=CC=CC=C3C2=O 180.20 unknown via CMAUP database
> Benzenoids / Naphthalenes
1,4,5,8-Tetramethylnaphthalene 137689 Click to see CC1=C2C(=CC=C(C2=C(C=C1)C)C)C 184.28 unknown via CMAUP database
1,6,7-Trimethylnaphthalene 16732 Click to see CC1=C2C=C(C(=CC2=CC=C1)C)C 170.25 unknown via CMAUP database
Naphthalene 931 Click to see C1=CC=C2C=CC=CC2=C1 128.17 unknown via CMAUP database
> Benzenoids / Phenol ethers
3-(4-Chlorophenoxy)-2-hydroxypropanoic acid 101174 Click to see C1=CC(=CC=C1OCC(C(=O)O)O)Cl 216.62 unknown via CMAUP database
> Benzenoids / Phenol ethers / Anisoles
2,6-Dimethylanisole 66088 Click to see CC1=C(C(=CC=C1)C)OC 136.19 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
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
Hydron;phenoxide 20488062 Click to see [H+].C1=CC=C(C=C1)[O-] 94.11 unknown via CMAUP database
> Benzenoids / Phenols / Cresols / Meta cresols
M-Cresol 342 Click to see CC1=CC(=CC=C1)O 108.14 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 / Methoxyphenols
2-Methoxy-4-methylphenol 7144 Click to see CC1=CC(=C(C=C1)O)OC 138.16 unknown via CMAUP database
Isoeugenol 853433 Click to see CC=CC1=CC(=C(C=C1)O)OC 164.20 unknown via CMAUP database
> Benzenoids / Pyrenes
Pyrene 31423 Click to see C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2 202.25 unknown via CMAUP database
> 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
2-Methyldecalin 94249 Click to see CC1CCC2CCCCC2C1 152.28 unknown via CMAUP database
beta-Patchoulene 101731 Click to see CC1CCC2=C1CC3CCC2(C3(C)C)C 204.35 unknown via CMAUP database
Decahydronaphthalene 7044 Click to see C1CCC2CCCCC2C1 138.25 unknown via CMAUP database
Isoledene 530426 Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C 204.35 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Heptadecane 12398 Click to see CCCCCCCCCCCCCCCCC 240.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159917/
Hexadecane 11006 Click to see CCCCCCCCCCCCCCCC 226.44 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-Methylundecane 23459 Click to see CCCCCCCCCC(C)C 170.33 unknown via CMAUP database
2,5,9-Trimethyldecane 522020 Click to see CC(C)CCCC(C)CCC(C)C 184.36 unknown via CMAUP database
2,6-Dimethylnonane 28457 Click to see CCCC(C)CCCC(C)C 156.31 unknown via CMAUP database
3-Methyldecane 92239 Click to see CCCCCCCC(C)CC 156.31 unknown via CMAUP database
3,7-Dimethylnonane 28458 Click to see CCC(C)CCCC(C)CC 156.31 unknown via CMAUP database
4-Methyldecane 17835 Click to see CCCCCCC(C)CCC 156.31 unknown via CMAUP database
4-Methylnonane 28455 Click to see CCCCCC(C)CCC 142.28 unknown via CMAUP database
4,7-Dimethylundecane 519389 Click to see CCCCC(C)CCC(C)CCC 184.36 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Cycloalkanes
(3-Methylpentyl)cyclohexane 557854 Click to see CCC(C)CCC1CCCCC1 168.32 unknown via CMAUP database
1-Ethyl-1-methylcyclohexane 35411 Click to see CCC1(CCCCC1)C 126.24 unknown via CMAUP database
1-Methyl-2-propylcyclohexane 107252 Click to see CCCC1CCCCC1C 140.27 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
1,3,3-Trimethyl-2-(2-methyl-cyclopropyl)-cyclohexene 595941 Click to see CC1CC1C2=C(CCCC2(C)C)C 178.31 unknown via CMAUP database
Cyclobutene, 2-propenylidene- 5368360 Click to see C=CC=C1CC=C1 92.14 unknown via CMAUP database
Cyclohexene, 1-isopentyl- 520965 Click to see CC(C)CCC1=CCCCC1 152.28 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
(E)-3-Octadecene 5365984 Click to see CCCCCCCCCCCCCCC=CCC 252.50 unknown via CMAUP database
4-Nonene, 2,3,3-trimethyl-, (E)- 5365833 Click to see CCCCC=CC(C)(C)C(C)C 168.32 unknown via CMAUP database
4-Nonene, 2,3,3-trimethyl-, (Z)- 5365834 Click to see CCCCC=CC(C)(C)C(C)C 168.32 unknown via CMAUP database
4-Nonene, 2,3,3-trimethyl-, (Z)- 549575 Click to see CCCCC=CC(C)(C)C(C)C 168.32 unknown via CMAUP database
9-Octadecene 5364599 Click to see CCCCCCCCC=CCCCCCCCC 252.50 unknown via CMAUP database
cis-3-Octadecene 5352227 Click to see CCCCCCCCCCCCCCC=CCC 252.50 unknown via CMAUP database
cis-9-Octadecene 5352245 Click to see CCCCCCCCC=CCCCCCCCC 252.50 unknown via CMAUP database
Octadec-3-ene 522442 Click to see CCCCCCCCCCCCCCC=CCC 252.50 unknown via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
3,4-Bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one 327062 Click to see C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 354.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Elaidic Acid 637517 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 282.50 unknown via CMAUP database
Oleic Acid 445639 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 282.50 unknown via CMAUP database
Oleic acid-d2 13011408 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 284.50 unknown via CMAUP database
Palmitic Acid 985 Click to see CCCCCCCCCCCCCCCC(=O)O 256.42 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
[(5E,11E)-3-acetyloxytrideca-5,11-dien-7,9-diynyl] acetate 6443553 Click to see CC=CC#CC#CC=CCC(CCOC(=O)C)OC(=O)C 288.34 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259236/
Oxalic acid, allyl nonyl ester 6420231 Click to see CCCCCCCCCOC(=O)C(=O)OCC=C 256.34 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(5R)-5-methylheptan-1-ol 13218085 Click to see CCC(C)CCCCO 130.23 unknown via CMAUP database
(S)-(+)-5-Methyl-1-heptanol 13218084 Click to see CCC(C)CCCCO 130.23 unknown via CMAUP database
5-Methyl-1-heptanol 138963 Click to see CCC(C)CCCCO 130.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
[(4E,6Z,12E)-1-acetyloxy-14-hydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl] 2-methylbutanoate 5319530 Click to see CCC(C)C(=O)OC(CCOC(=O)C)C=CC=CC#CC#CC=CCO 358.40 unknown via CMAUP database
[(4E,6Z,12E)-3,14-dihydroxytetradeca-4,6,12-trien-8,10-diynyl] 2-methylbutanoate 5319532 Click to see CCC(C)C(=O)OCCC(C=CC=CC#CC#CC=CCO)O 316.40 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 / Lineolic acids and derivatives
Linoleic Acid 5280450 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-Camphene 440966 Click to see CC1(C2CCC(C2)C1=C)C 136.23 unknown via CMAUP database
(+)-Camphene 92221 Click to see CC1(C2CCC(C2)C1=C)C 136.23 unknown via CMAUP database
alpha-Bergamotene 86608 Click to see CC1=CCC2CC1C2(C)CCC=C(C)C 204.35 unknown via CMAUP database
Bicyclo[2.2.1]heptan-2-one, 1-ethenyl-7,7-dimethyl- 577600 Click to see CC1(C2CCC1(C(=O)C2)C=C)C 164.24 unknown via CMAUP database
Bicyclo[2.2.1]heptane, 2-methyl-3-(1-methylethenyl)- 556697 Click to see CC1C2CCC(C2)C1C(=C)C 150.26 unknown via CMAUP database
Bicyclo[4.3.0]nonan-2-one, 8-isopropylidene- 596085 Click to see CC(=C1CC2CCCC(=O)C2C1)C 178.27 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159917/
Camphene 6616 Click to see CC1(C2CCC(C2)C1=C)C 136.23 unknown via CMAUP database
Longifolene-(V4) 570529 Click to see CC1(CC=CC2(C3C1CC2(CC3)C)C)C 204.35 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159917/
trans-alpha-Bergaptene 6428986 Click to see CC1=CCC2CC1C2(C)CCC=C(C)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(+)-alpha-Phellandrene 443160 Click to see CC1=CCC(C=C1)C(C)C 136.23 unknown via CMAUP database
alpha-PHELLANDRENE 7460 Click to see CC1=CCC(C=C1)C(C)C 136.23 unknown via CMAUP database
Carvone, (-)- 439570 Click to see CC1=CCC(CC1=O)C(=C)C 150.22 unknown via CMAUP database
Carvone, (+)- 16724 Click to see CC1=CCC(CC1=O)C(=C)C 150.22 unknown via CMAUP database
Carvone, (+/-)- 7439 Click to see CC1=CCC(CC1=O)C(=C)C 150.22 unknown via CMAUP database
l-Menthol 16666 Click to see CC1CCC(C(C1)O)C(C)C 156.26 unknown via CMAUP database
Limonene, (-)- 439250 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown via CMAUP database
Limonene, (+)- 440917 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown via CMAUP database
Limonene, (+/-)- 22311 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown via CMAUP database
Menthone 26447 Click to see CC1CCC(C(=O)C1)C(C)C 154.25 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-Hinesol 10878761 Click to see CC1CCC=C(C12CCC(C2)C(C)(C)O)C 222.37 unknown via CMAUP database
(+)(-)-(E)-beta-caryophyllene 14757966 Click to see CC1(CC2C1CCC(=C)CCCC2=C)C 204.35 unknown via CMAUP database
(1R,4aR,8aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol 5318734 Click to see CC(=C1CCC2(CCCC(C2C1)(C)O)C)C 222.37 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
(1R,4aS,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-1,4,4a,6,7,8-hexahydronaphthalen-1-ol 102519767 Click to see CC12CCCC(=C)C1CC(=CC2O)C(C)(C)O 236.35 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
(2S,5R,10R)-alpha,alpha,6,10-Tetramethylspiro[4.5]dec-6-ene-2-methanol 10059437 Click to see CC1CCC=C(C12CCC(C2)C(C)(C)O)C 222.37 unknown via CMAUP database
(Z)-caryophyllene 6429301 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 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
2-[(5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol 11379068 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
3-(1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene 519764 Click to see CC(CCC=C(C)C)C1CCC(=C)C=C1 204.35 unknown via CMAUP database
3-(2-Hydroxypropan-2-yl)-8a-methyl-5-methylidene-1,4,4a,6,7,8-hexahydronaphthalen-1-ol 162997167 Click to see CC12CCCC(=C)C1CC(=CC2O)C(C)(C)O 236.35 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
3,7(11)-Eudesmadiene 522296 Click to see CC1=CCCC2(C1CC(=C(C)C)CC2)C 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
alpha-Guaiene 5317844 Click to see CC1CCC(CC2=C1CCC2C)C(=C)C 204.35 unknown via CMAUP database
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)- 107152 Click to see CC1CCC(CC2=C1CCC2C)C(=C)C 204.35 unknown via CMAUP database
beta-CARYOPHYLLENE OXIDE 1742210 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 unknown via CMAUP database
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 oxide 2 13240188 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 unknown via CMAUP database
Caryophyllene,alpha + beta mixt. 5354499 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
CID 24721116 24721116 Click to see CC1CCC=C(C12CCC(C2)C(C)(C)O)C 222.37 unknown via CMAUP database
Hinesol 289964 Click to see CC1CCC=C(C12CCC(C2)C(C)(C)O)C 222.37 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3135905/
Humulene 5281520 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown via CMAUP database
Isocaryophyllene oxide 1742211 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 unknown via CMAUP database
Juniper camphor 521214 Click to see CC(=C1CCC2(CCCC(C2C1)(C)O)C)C 222.37 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethylidene)-, (4aR-trans)- 6432648 Click to see CC1=CCCC2(C1CC(=C(C)C)CC2)C 204.35 unknown via CMAUP database
Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)-, (4aR-trans)- 6432497 Click to see CC(=C1CCC2(CCCC(=C)C2C1)C)C 204.35 unknown via CMAUP database
Selina-4(15),7(11)-dien-8-one 13986100 Click to see CC(=C1CC2C(=C)CCCC2(CC1=O)C)C 218.33 unknown via CMAUP database
Vulgarone B 530428 Click to see CC1=CC(=O)C2C3C1C2(CCCC3(C)C)C 218.33 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159917/
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(-)-Alloaromadendrene 10899740 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
(-)-Dehydroaromadendrene 526687 Click to see CC1CCC2C1C3C(C3(C)C)C=CC2=C 202.33 unknown via CMAUP database
(+)-Alloaromadendrene 21775889 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
(+)-Aromadendrene 11095734 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
(1aR,4aR,7S,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene 44584667 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene 91746456 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
(1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol 6432706 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
1H-Cycloprop[e]azulen-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
1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7bS)- 521243 Click to see CC1CCC2C(C2(C)C)C3=C(CCC13)C 204.35 unknown via CMAUP database
Allo-Aromadendrene 42608158 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
Alloaromadendren 91746537 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
Aromadendrene 91354 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
beta-Diploalbicene 177445 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
beta-Spathulenol 522266 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
Ent-Spathulenol 13854255 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
Spathulenol 92231 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)- 9859094 Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
Atractylol 5321065 Click to see CC1=COC2=C1CC3C(=C)CCCC3(C2)C 216.32 unknown via CMAUP database
Atractylon 3080635 Click to see CC1=COC2=C1CC3C(=C)CCCC3(C2)C 216.32 unknown via CMAUP database
rel-(4aR,8aS)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan 12138536 Click to see CC1=COC2=C1CC3C(=C)CCCC3(C2)C 216.32 unknown https://doi.org/10.1021/JF0708802
> 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-(4a,8-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-naphthalen-2-yl)-prop-2-en-1-ol 579791 Click to see CC1=C2CC(CCC2(CCC1)C)C(=C)CO 220.35 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
6-Isopropenyl-4,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydro-naphthalen-2-ol 594234 Click to see CC1=C2CC(CCC2(CC(C1)O)C)C(=C)C 220.35 unknown via CMAUP database
7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene 519361 Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C 204.35 unknown via CMAUP database
beta-EUDESMOL 91457 Click to see CC12CCCC(=C)C1CC(CC2)C(C)(C)O 222.37 unknown via CMAUP database
beta-Selinene 442393 Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C 204.35 unknown via CMAUP database
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2alpha,4aalpha,8abeta)]- 6432455 Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C 204.35 unknown via CMAUP database
Zingiberol 5317270 Click to see CC12CCCC(=C)C1CC(CC2)C(C)(C)O 222.37 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Guaianes
Bicyclo[5.3.0]decane, 2-methylene-5-(1-methylvinyl)-8-methyl- 564533 Click to see CC1CCC2C1CC(CCC2=C)C(=C)C 204.35 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159917/
Dehydroaromadendrene 91746711 Click to see CC1CCC2C1C3C(C3(C)C)CC=C2C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
(4,4,6a,6a,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl) acetate 5205968 Click to see CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CCC4(C3=CCC5(C4CC(CC5)(C)C)C)C)C)C 468.80 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
Taraxerol acetate 94225 Click to see CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CCC4(C3=CCC5(C4CC(CC5)(C)C)C)C)C)C 468.80 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
(2S,3R,4S,5S,6R)-2-[2-[(2S,3S,3aR,5R,8R,8aS)-2,3,8-trihydroxy-8-(hydroxymethyl)-3-methyl-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol 71448952 Click to see CC1(C2CC(CCC(C2CC1O)(CO)O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O)O 450.50 unknown via CMAUP database
Atractyloside A 71307451 Click to see CC1(C2CC(CCC(C2CC1=O)(CO)O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O)O 448.50 unknown via CMAUP database
NCGC00384848-01_C21H36O10_2-[3,8-Dihydroxy-8-(hydroxymethyl)-3-methyl-2-oxodecahydro-5-azulenyl]-2-propanyl hexopyranoside 14507473 Click to see CC1(C2CC(CCC(C2CC1=O)(CO)O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O)O 448.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
(4aS,8aS,9aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one 92476918 Click to see CC1=C2CC3C(=C)CCCC3(CC2OC1=O)C 232.32 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
(4aS,8aS,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one 92261982 Click to see CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C 248.32 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
(8aR)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one 5321023 Click to see CC1=C2CC3C(=C)CCCC3(CC2OC1=O)C 232.32 unknown https://doi.org/10.1002/PCA.1373
(8aR)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one 5321031 Click to see CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C 248.32 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3785168/
3,8A-Dimethyl-5-methylidene-4H,4AH,6H,7H,8H,9H,9AH-naphtho[2,3-B]furan-2-one 14448069 Click to see CC1=C2CC3C(=C)CCCC3(CC2OC1=O)C 232.32 unknown https://doi.org/10.1016/J.BMCL.2012.01.048
3,8aalpha-Dimethyl-5-methylene-9aalpha-hydroxy-4abeta,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one 11311230 Click to see CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C 248.32 unknown https://doi.org/10.1021/JF0708802
8-Epiasterolide 14448071 Click to see CC1=C2CC3C(=C)CCCC3(CC2OC1=O)C 232.32 unknown https://doi.org/10.1016/J.BMCL.2012.01.048
Atractylenolide II 14448070 Click to see CC1=C2CC3C(=C)CCCC3(CC2OC1=O)C 232.32 unknown https://doi.org/10.1016/S0031-9422(97)00036-8
Atractylenolide Iii 155948 Click to see CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C 248.32 unknown https://doi.org/10.1016/S0031-9422(97)00036-8
https://doi.org/10.1016/J.BMCL.2012.01.048
Lassiosiphol 196319 Click to see CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C 248.32 unknown https://doi.org/10.1016/J.BMCL.2012.01.048
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(4aR,8aS,9aR)-9a-[(4aR,8aS,9aR)-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-9a-yl]-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one 11225032 Click to see CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)C45CC6(CCCC(=C)C6CC4=C(C(=O)O5)C)C)C 462.60 unknown https://doi.org/10.1021/NP9603582
(4aS,8aR,9aS)-9a-[(4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-9a-yl]-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one 101136125 Click to see CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)C45CC6(CCCC(=C)C6CC4=C(C(=O)O5)C)C)C 462.60 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
9a-(3,8a-Dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-9a-yl)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one 15785658 Click to see CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)C45CC6(CCCC(=C)C6CC4=C(C(=O)O5)C)C)C 462.60 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
https://doi.org/10.1021/NP9603582
CID 10813930 10813930 Click to see CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)C45CC6(CCCC(=C)C6CC4=C(C(=O)O5)C)C)C 462.60 unknown https://doi.org/10.1021/NP9603582
Lup-20(29)-en-3-ol, (3beta)- 521518 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C 426.70 unknown https://doi.org/10.1007/S10600-011-9795-6
Lupeol 259846 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C 426.70 unknown https://doi.org/10.1007/S10600-011-9795-6
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
Jurubine 52931419 Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)N)C)C)OC1(CCC(C)COC6C(C(C(C(O6)CO)O)O)O)O 595.80 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(-)-beta-Sitosterol 6432744 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 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/PMC6260643/
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://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
Beta-Sitosterol 222284 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6260643/
Sitogluside 5742590 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 576.80 unknown https://doi.org/10.1016/S0031-9422(97)00036-8
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/PMC6260643/
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
(R)-Ethyl 2-hydroxypropanoate 637513 Click to see CCOC(=O)C(C)O 118.13 unknown via CMAUP database
2-Hydroxyethyl propionate 545098 Click to see CCC(=O)OCCO 118.13 unknown via CMAUP database
Butyl Acetate 31272 Click to see CCCCOC(=O)C 116.16 unknown via CMAUP database
Ethyl Lactate 7344 Click to see CCOC(=O)C(C)O 118.13 unknown via CMAUP database
> Organic oxygen compounds / Organic oxides
(3As,8as)-2,2,8-trimethyl-1,2,3,3a,6,8a-hexahydroazulene-5,6-dicarbaldehyde 92330 Click to see CC1=CC(C(=CC2C1CC(C2)(C)C)C=O)C=O 232.32 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159917/
Velleral 14412869 Click to see CC1C=C(C(=CC2C1CC(C2)(C)C)C=O)C=O 232.32 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
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
(Z)-2-hexenal 6428782 Click to see CCCC=CC=O 98.14 unknown via CMAUP database
(Z)-2-Undecenal 6431019 Click to see CCCCCCCCC=CC=O 168.28 unknown via CMAUP database
2-Decenal 5283345 Click to see CCCCCCCC=CC=O 154.25 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159917/
2-Hepten-1-al 17167 Click to see CCCCC=CC=O 112.17 unknown via CMAUP database
2-Heptenal 5283316 Click to see CCCCC=CC=O 112.17 unknown via CMAUP database
2-Heptenal, (Z)- 5362616 Click to see CCCCC=CC=O 112.17 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159917/
2-Hexenal 5281168 Click to see CCCC=CC=O 98.14 unknown via CMAUP database
2-Undecenal 5283356 Click to see CCCCCCCCC=CC=O 168.28 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
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
Undecenal 62447 Click to see CCCCCCCCC=CC=O 168.28 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159917/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
(E,E)-3,5-octadien-2-one 5352876 Click to see CCC=CC=CC(=O)C 124.18 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzoquinones / P-benzoquinones
2,6-Dimethoxyquinone 68262 Click to see COC1=CC(=O)C=C(C1=O)OC 168.15 unknown https://doi.org/10.1007/S10600-011-9795-6
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
2-(3-Isopropyl-4-methyl-pent-3-en-1-ynyl)-2-methyl-cyclobutanone 590280 Click to see CC(C)C(=C(C)C)C#CC1(CCC1=O)C 204.31 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4159917/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
2-Hydroxyacetophenone 68490 Click to see C1=CC=C(C=C1)C(=O)CO 136.15 unknown via CMAUP database
Acetophenone 7410 Click to see CC(=O)C1=CC=CC=C1 120.15 unknown via CMAUP database
> Organoheterocyclic compounds / Benzimidazoles
5,6-Dimethylbenzimidazole 675 Click to see CC1=CC2=C(C=C1C)N=CN2 146.19 unknown via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 2-benzopyrans
(7R)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene 91753603 Click to see CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C 258.40 unknown via CMAUP database
Galaxolide 91497 Click to see CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C 258.40 unknown via CMAUP database
> Organoheterocyclic compounds / Coumarans
trans-2-Hydroxyisoxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid 70697841 Click to see CC(=CCC1=C2C(=CC(=C1)C(=O)O)C(C(O2)C(C)(C)O)O)C 306.40 unknown via CMAUP database
> Organoheterocyclic compounds / Epoxides
1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene 23274265 Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C 220.35 unknown via CMAUP database
Epoxy (1,11)humulene 5363694 Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C 220.35 unknown via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
Atractylodin 5321047 Click to see CC=CC#CC#CC=CC1=CC=CO1 182.22 unknown https://doi.org/10.1248/BPB.20.502
> Organoheterocyclic compounds / Indoles and derivatives
(4aS,8aS)-3,8a-dimethyl-5-methylidene-1,4,4a,6,7,8-hexahydrobenzo[f]indol-2-one 101707484 Click to see CC1=C2CC3C(=C)CCCC3(C=C2NC1=O)C 229.32 unknown https://doi.org/10.1016/S0031-9422(97)00036-8
> Organoheterocyclic compounds / Isocoumarans / Isobenzofuranones / Phthalides
Phthalide 6885 Click to see C1C2=CC=CC=C2C(=O)O1 134.13 unknown via CMAUP database
> Organoheterocyclic compounds / Naphthofurans
(4aR,8aR)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one 11368212 Click to see CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C 230.30 unknown via CMAUP database
Atractylenolide I 5321018 Click to see CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C 230.30 unknown https://doi.org/10.1016/J.JEP.2007.08.002
https://doi.org/10.1016/S0031-9422(97)00036-8
> Organoheterocyclic compounds / Quinolines and derivatives / Quinolones and derivatives / Hydroquinolones
Ethyl 2-hydroxyquinoline-4-carboxylate 160782 Click to see CCOC(=O)C1=CC(=O)NC2=CC=CC=C21 217.22 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester 66883 Click to see CCOC(=O)C=CC1=CC(=C(C=C1)O)O 208.21 unknown https://doi.org/10.1007/S10600-011-9795-6
Ethyl caffeate 5317238 Click to see CCOC(=O)C=CC1=CC(=C(C=C1)O)O 208.21 unknown https://doi.org/10.1007/S10600-011-9795-6
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
(E)-Ethyl 3-(4-hydroxyphenyl)acrylate 676946 Click to see CCOC(=O)C=CC1=CC=C(C=C1)O 192.21 unknown via CMAUP database
Ethyl 4-hydroxycinnamate 349172 Click to see CCOC(=O)C=CC1=CC=C(C=C1)O 192.21 unknown https://doi.org/10.1016/J.JPBA.2014.05.010
> 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
Scopoletin 5280460 Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)O 192.17 unknown https://doi.org/10.1016/S0031-9422(97)00036-8
Umbelliferone 5281426 Click to see C1=CC(=CC2=C1C=CC(=O)O2)O 162.14 unknown https://doi.org/10.1007/S10600-011-9795-6
https://doi.org/10.1016/J.JPBA.2014.05.010
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
Epicatechin 72276 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin 5280443 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 270.24 unknown https://doi.org/10.1007/S10600-011-9795-6
Luteolin 5280445 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O 286.24 unknown https://doi.org/10.1007/S10600-011-9795-6
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside) 443915 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O)O)O 535.40 unknown via CMAUP database
Kuromanin 441667 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O 449.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-3-O-glucuronides
Kaempferol 3-glucuronide 5318759 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O 462.40 unknown via CMAUP database
Querciturone 5274585 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 478.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
Astragalin 5282102 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O 448.40 unknown via CMAUP database
Isoquercetin 5280804 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 464.40 unknown via CMAUP database
kaempferol 3-O-beta-D-(6''-O-malonyl)-glucoside 14162699 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O 534.40 unknown via CMAUP database
Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside 5282159 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O 550.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
Tricin 5281702 Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O 330.29 unknown https://doi.org/10.1007/S10600-011-9795-6
> Phenylpropanoids and polyketides / Stilbenes
Phenol, (Z)- 5469252 Click to see COC1=CC=CC(=C1)C=CC2=CC=C(C=C2)O 226.27 unknown via CMAUP database
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
Ellagic Acid 5281855 Click to see C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O 302.19 unknown via CMAUP database

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