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Aucklandia costus

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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 UUID643fcdc097358200713102
Scientific name Aucklandia costus
Authority Falc.
First published in Ann. Mag. Nat. Hist. 6: 475 (1841)

Description Top

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Synonyms Top

Scientific name Authority First published in
Saussurea lappa (Decne.) Sch.Bip. Linnaea 19: 331 (1846)
Aucklandia lappa Decne. Iconographia Cormophytorum Sinicorum 4: "643, f. 6700" 1875
Saussurea costus (Falc.) Lipsch. Bot. Zhurn. (Moscow & Leningrad) 49: 131 (1964)
Aucklandia lappa DC. 1835
Theodorea costus (Falc.) Kuntze Revis. Gen. Pl. 1: 368 (1891)
Saussurea lappa (Decne.) C.B.Clarke Compos. Ind. 233. 1876 [isonym]
Aplotaxis lappa Decne. Voy. Inde : 4: (1844)

Common names Top

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Language Common/alternative name
Chinese 青木香
Chinese 云木香
Chinese 广木香
Chinese 云木香*(木香、广木香）

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

No distribution data was extracted from POWO/KEW yet. We are constantly monitoring for new data.

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0000075190
Tropicos 50118362
KEW urn:lsid:ipni.org:names:60441917-2
IPNI 60441917-2
iNaturalist 1155850
GBIF 5404131
USDA GRIN 319258
CMAUP NPO25825
Open Tree Of Life 772548

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)!
Title Authors Publication Released IDs
The Possibility of Using Paulownia elongata S. Y. Hu × Paulownia fortunei Hybrid for Phytoextraction of Toxic Elements from Post-Industrial Wastes with Biochar Drzewiecka K, Gąsecka M, Magdziak Z, Budzyńska S, Szostek M, Niedzielski P, Budka A, Roszyk E, Doczekalska B, Górska M, Mleczek M Plants (Basel) 29-Sep-2021
PMCID:PMC8541643
doi:10.3390/plants10102049
PMID:34685857
Cytotoxic Principles from <i>Saussurea Lappa</i> and <i>Corydalis Turtshaninovii f. Yanhusuo</i> Tian‐Shung Wu, Yann‐Lii Leu, Chang‐Sheng Kuoh, Shwu‐Duan Jiang, Chieh‐Fu Chen, Kuo‐Hsiung Lee Wiley 01-May-2015
doi:10.1002/JCCS.199700053
UPLC/MS/MS method for quantification and cytotoxic activity of sesquiterpene lactones isolated from Saussurea lappa. Kumar A, Kumar S, Kumar D, Agnihotri VK J Ethnopharmacol 11-Sep-2014
doi:10.1016/J.JEP.2014.07.037
PMID:25068579
On terpenes. XCIII. The composition of costus oil (from Saussurea lappa CLARKE) M. Romaňuk, V. Herout, F. Šorm Institute of Organic Chemistry & Biochemistry 15-Jan-2014
doi:10.1135/CCCC19582188
Volatile constituents of Saussurea costus roots cultivated in Uttarakhand Himalayas, India. Gwari G, Bhandari U, Andola HC, Lohani H, Chauhan N Pharmacognosy Res 01-Jul-2013
PMCID:PMC3719259
doi:10.4103/0974-8490.112424
PMID:23901213
Essential oil composition and larvicidal activity of Saussurea lappa roots against the mosquito Aedes albopictus (Diptera: Culicidae). Liu ZL, He Q, Chu SS, Wang CF, Du SS, Deng ZW Parasitol Res 01-Jun-2012
doi:10.1007/S00436-011-2738-0
PMID:22167373
Glucofructans from Saussurea lappa roots D. N. Olennikov, L. M. Tankhaeva, A. V. Rokhin Springer Science and Business Media LLC 25-Jul-2011
doi:10.1007/S10600-011-9927-Z
Bio-antimutagenic effects of sesquiterpene lactones from costus root oil. Miyuki KURODA, Daisuke YOSHIDA, Hisashi KODAMA Oxford University Press (OUP) 13-Jul-2011
doi:10.1271/BBB1961.51.585
Apoptosis of DU145 human prostate cancer cells induced by dehydrocostus lactone isolated from the root of Saussurea lappa. Kim EJ, Lim SS, Park SY, Shin HK, Kim JS, Park JH Food Chem Toxicol 01-Dec-2008
doi:10.1016/J.FCT.2008.08.038
PMID:18848968
A new sesquiterpene lactone from the roots of Saussurea lappa: structure-anticancer activity study. Robinson A, Kumar TV, Sreedhar E, Naidu VG, Krishna SR, Babu KS, Srinivas PV, Rao JM Bioorg Med Chem Lett 15-Jul-2008
doi:10.1016/J.BMCL.2008.06.008
PMID:18579374
Sulfonated guaianolides from Saussurea lappa. Wang F, Xie ZH, Gao Y, Xu Y, Cheng XL, Liu JK Chem Pharm Bull (Tokyo) 01-Jun-2008
doi:10.1248/CPB.56.864
PMID:18520098
Melanogenesis inhibitory compounds from Saussureae Radix. Choi JY, Choi EH, Jung HW, Oh JS, Lee WH, Lee JG, Son JK, Kim Y, Lee SH Arch Pharm Res 01-Mar-2008
doi:10.1007/S12272-001-1154-0
PMID:18409040
Authentication of Radix Aucklandiae and its substitutes by GC-MS and hierarchical clustering analysis. Shum KC, Chen F, Li SL, Wang J, But PP, Shaw PC J Sep Sci 01-Dec-2007
doi:10.1002/JSSC.200700232
PMID:18004716
Acylated flavone glycosides from the roots of Saussurea lappa and their antifungal activity. Rao KS, Babu GV, Ramnareddy YV Molecules 07-Mar-2007
PMCID:PMC6149399
doi:10.3390/12030328
PMID:17851392
Gastrointestinal motility enhancing effect of saussureae radix Johji Yamahara, Takeshi Chisaka, Qirong Huang, Kazumasa Kishi, Hiromi Kobayashi, Yuzo Kawahara Wiley 18-Oct-2006
doi:10.1002/PTR.2650040408

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 / Styrenes
Goniothalamin 6440856 Click to see C1C=CC(=O)OC1C=CC2=CC=CC=C2 200.23 unknown via CMAUP database
trans-beta-Methylstyrene 252325 Click to see CC=CC1=CC=CC=C1 118.18 unknown via CMAUP database
> Benzenoids / Naphthalenes / Naphthols and derivatives
2-(1,7-Dihydroxy-6,8-dimethoxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-6,8-dimethoxy-3-methyl-5-propan-2-ylnaphthalene-1,7-diol 5316861 Click to see CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4OC)O)OC)C(C)C)O)O)C(=C(C(=C2C(C)C)OC)O)OC 550.60 unknown via CMAUP database
Nepodin 100780 Click to see CC1=CC2=C(C(=CC=C2)O)C(=C1C(=O)C)O 216.23 unknown https://doi.org/10.1002/JSSC.200700232
> Benzenoids / Phenol ethers / Anisoles
Anethole 637563 Click to see CC=CC1=CC=C(C=C1)OC 148.20 unknown via CMAUP database
Elemicin 10248 Click to see COC1=CC(=CC(=C1OC)OC)CC=C 208.25 unknown via CMAUP database
Estragole 8815 Click to see COC1=CC=C(C=C1)CC=C 148.20 unknown via CMAUP database
Methoxy-4-propenylbenzene 7703 Click to see CC=CC1=CC=C(C=C1)OC 148.20 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3719259/
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
[(3aR)-9-formyl-6-methyl-3-methylidene-2,7-dioxo-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate 5316703 Click to see CC1=C2C(C(CC2=O)C=O)C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3 410.40 unknown via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
Syringaldehyde 8655 Click to see COC1=CC(=CC(=C1O)OC)C=O 182.17 unknown via CMAUP database
> Benzenoids / Tetralins
1,1,6-Trimethyltetralin 68057 Click to see CC1=CC2=C(C=C1)C(CCC2)(C)C 174.28 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Heneicosane 12403 Click to see CCCCCCCCCCCCCCCCCCCCC 296.60 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
11-Methylene-tricyclo[5.3.1.1(2,6)]dodecane 556729 Click to see C=C1C2CCCC1C3CCCC2C3 176.30 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 / Olefins / Acyclic olefins / Alkatetraenes
1,8,11,14-Heptadecatetraene 5319559 Click to see CCC=CCC=CCC=CCCCCCC=C 232.40 unknown https://doi.org/10.1135/CCCC19582188
1,8,11,14-Heptadecatetraene, (Z,Z,Z)- 5352710 Click to see CCC=CCC=CCC=CCCCCCC=C 232.40 unknown via CMAUP database
Heptadeca-1,8,11,14-tetraene 82660 Click to see CCC=CCC=CCC=CCCCCCC=C 232.40 unknown https://doi.org/10.1135/CCCC19582188
> Lignans, neolignans and related compounds / Furanoid lignans
(-) Syringaresinol 332426 Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC 418.40 unknown via CMAUP database
(-)-Syringaresinol 11604108 Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC 418.40 unknown via CMAUP database
Syringaresinol 100067 Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC 418.40 unknown via CMAUP database
Syringaresinol, (+)- 443023 Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC 418.40 unknown via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
acs.jmedchem.1c00409_ST.491 6509497 Click to see C1C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)O1)CC4=CC5=C(C=C4)OCO5 352.30 unknown via CMAUP database
> Lignans, neolignans and related compounds / Lignan glycosides
(2S,3R,4S,5S,6R)-2-[4-[[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 5320285 Click to see COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O 538.50 unknown https://doi.org/10.1248/CPB.41.214
(2S,3R,4S,5S,6R)-2-[4-[1,3-Dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 11972318 Click to see COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)O)OC)C=CCO 568.60 unknown via CMAUP database
2-[4-[[3,4-Dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 73087830 Click to see COC1=C(C=CC(=C1)CC2(COC(C2(CO)O)C3=CC(=C(C=C3)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O 554.50 unknown https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
Massoniresinol 4'-glucoside 11757377 Click to see COC1=C(C=CC(=C1)CC2(COC(C2(CO)O)C3=CC(=C(C=C3)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O 554.50 unknown https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
> 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
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
Citronellyl propionate 8834 Click to see CCC(=O)OCCC(C)CCC=C(C)C 212.33 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3719259/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(9E,11E,14E)-heptadeca-1,9,11,14-tetraen-8-ol 14841146 Click to see CCC=CCC=CC=CC(CCCCCC=C)O 248.40 unknown https://doi.org/10.1002/CHIN.200429169
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
Shikokiol C 14841148 Click to see CCC(C=CC=CCC=CCCCCCC=C)O 248.40 unknown https://doi.org/10.1002/CHIN.200429169
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
cis,cis,cis-7,10,13-Hexadecatrienal 5367366 Click to see CCC=CCC=CCC=CCCCCCC=O 234.38 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
(9Z,12Z)-Ethyl octadeca-9,12-dienoate 11001 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC 308.50 unknown via CMAUP database
Ethyl Linoleate 5282184 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC 308.50 unknown via CMAUP database
Linoleic Acid 5280450 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 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
2(3H)-Benzofuranone, hexahydro-7-isopropenyl-3,6-dimethyl-6-vinyl-, (all-S)- 11160662 Click to see CC1C2CCC(C(C2OC1=O)C(=C)C)(C)C=C 234.33 unknown via CMAUP database
Dehydrosasurealactone 556920 Click to see CC(=C)C1C2C(CCC1(C)C=C)C(=C)C(=O)O2 232.32 unknown via CMAUP database
Dehydrosaussurealactone 44409528 Click to see CC(=C)C1C2C(CCC1(C)C=C)C(=C)C(=O)O2 232.32 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
(R)-(+)-Citronellal 75427 Click to see CC(CCC=C(C)C)CC=O 154.25 unknown via CMAUP database
(S)-(-)-Citronellal 443157 Click to see CC(CCC=C(C)C)CC=O 154.25 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
Citronellal 7794 Click to see CC(CCC=C(C)C)CC=O 154.25 unknown via CMAUP database
Geranylacetone 1549778 Click to see CC(=CCCC(=CCCC(=O)C)C)C 194.31 unknown via CMAUP database
Linalool, (-)- 443158 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown via CMAUP database
Linalool, (+)- 67179 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown via CMAUP database
Linalool, (+/-)- 6549 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown via CMAUP database
Myrcene 31253 Click to see CC(=CCCC(=C)C=C)C 136.23 unknown https://doi.org/10.1135/CCCC19582188
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
p-CYMENE 7463 Click to see CC1=CC=C(C=C1)C(C)C 134.22 unknown via CMAUP database
Thymol 6989 Click to see CC1=CC(=C(C=C1)C(C)C)O 150.22 unknown 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
(-)-Camphor 444294 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown via CMAUP database
(-)-Chrysanthenone 12303211 Click to see CC1=CCC2C(=O)C1C2(C)C 150.22 unknown via CMAUP database
(-)-Sabinene 11051711 Click to see CC(C)C12CCC(=C)C1C2 136.23 unknown via CMAUP database
(+)-alpha-Pinene 82227 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown via CMAUP database
(+)-Camphene 92221 Click to see CC1(C2CCC(C2)C1=C)C 136.23 unknown via CMAUP database
(+)-Camphor 9543187 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown via CMAUP database
(+)-Chrysanthenone 11789373 Click to see CC1=CCC2C(=O)C1C2(C)C 150.22 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
3-Carene 26049 Click to see CC1=CCC2C(C1)C2(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
alpha-CIS-BERGAMOTENE 6429303 Click to see CC1=CCC2CC1C2(C)CCC=C(C)C 204.35 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
beta-Pinene 14896 Click to see CC1(C2CCC(=C)C1C2)C 136.23 unknown via CMAUP database
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- 17868 Click to see CC1=CCC2(C1C2)C(C)C 136.23 unknown via CMAUP database
Camphene 6616 Click to see CC1(C2CCC(C2)C1=C)C 136.23 unknown via CMAUP database
Camphor 2537 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown via CMAUP database
Camphor (synthetic) 159055 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown via CMAUP database
Camphor, (1S,4S)-(-)- 10050 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown via CMAUP database
Chrysanthenone 442463 Click to see CC1=CCC2C(=O)C1C2(C)C 150.22 unknown via CMAUP database
d-Camphor 230921 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown via CMAUP database
Sabinen 18818 Click to see CC(C)C12CCC(=C)C1C2 136.23 unknown via CMAUP database
Sabinene 10887971 Click to see CC(C)C12CCC(=C)C1C2 136.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives
9beta-Acetoxy-3,4,8-trimethyltricyclo[6.3.1.0(1,5)]dodec-3-ene 595275 Click to see CC1=C(C2CCC3(CC2(C1)CCC3OC(=O)C)C)C 262.40 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
(-)-beta-Phellandrene 443161 Click to see CC(C)C1CCC(=C)C=C1 136.23 unknown via CMAUP database
(-)-Terpinen-4-ol 5325830 Click to see CC1=CCC(CC1)(C(C)C)O 154.25 unknown via CMAUP database
(+)-alpha-Phellandrene 443160 Click to see CC1=CCC(C=C1)C(C)C 136.23 unknown via CMAUP database
(+)-Menthone 443159 Click to see CC1CCC(C(=O)C1)C(C)C 154.25 unknown via CMAUP database
(+)-Terpinen-4-ol 2724161 Click to see CC1=CCC(CC1)(C(C)C)O 154.25 unknown via CMAUP database
(5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one 10888107 Click to see CC1=CCC(CC1=O)C(C)C 152.23 unknown via CMAUP database
2-Methyl-5-propan-2-ylcyclohex-2-en-1-one 521267 Click to see CC1=CCC(CC1=O)C(C)C 152.23 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-PHELLANDRENE, (-)- 442482 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
alpha,alpha-Dimethyl-4-methylenecyclohexanemethanol 81722 Click to see CC(C)(C1CCC(=C)CC1)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
Carvotanacetone 6432475 Click to see CC1=CCC(CC1=O)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 https://doi.org/10.1007/S00436-011-2738-0
Menthone 26447 Click to see CC1CCC(C(=O)C1)C(C)C 154.25 unknown via CMAUP database
p-Menthan-3-one 6986 Click to see CC1CCC(C(=O)C1)C(C)C 154.25 unknown via CMAUP database
Terpinolene 11463 Click to see CC1=CCC(=C(C)C)CC1 136.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Retinoids
[(E,7R)-3,7-dimethyl-9-[(1S,6S)-2,2,6-trimethylcyclohexyl]non-2-enyl] acetate 162905171 Click to see CC1CCCC(C1CCC(C)CCCC(=CCOC(=O)C)C)(C)C 336.60 unknown https://doi.org/10.1135/CCCC19582188
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-alpha-Curcumene 442360 Click to see CC1=CC=C(C=C1)C(C)CCC=C(C)C 202.33 unknown via CMAUP database
(+)-beta-Caryophyllene 20831623 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
(+)-Nerolidol 5356544 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
(+)(-)-(E)-beta-caryophyllene 14757966 Click to see CC1(CC2C1CCC(=C)CCCC2=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
(1Z,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene 5879124 Click to see CC1=CCC(C=CCC(=C)CCC1)(C)C 204.35 unknown via CMAUP database
(3E,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene 5353086 Click to see CC(=CCCC(=CCC=C(C)C=C)C)C 204.35 unknown via CMAUP database
(3R,6E)-nerolidol 11241545 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
(3S,6E)-Nerolidol 5281525 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene 5322111 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
(E)-(+-)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one 24680 Click to see CC1=CCCC(C1C=CC(=O)C)(C)C 192.30 unknown via CMAUP database
(Z)-2-methyl-6-(2-methyl-3-tricyclo[2.2.1.02,6]heptanyl)hept-2-en-1-ol 5352146 Click to see CC(CCC=C(C)CO)C1C2CC3C1(C3C2)C 234.38 unknown via CMAUP database
(Z)-3-[(4R,7S)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol 91747207 Click to see CC1CCC(C2=C(CCC12)C)C=C(C)CO 220.35 unknown via CMAUP database
(Z)-alpha-Bisabolene 5352653 Click to see CC1=CCC(CC1)C(=CCC=C(C)C)C 204.35 unknown via CMAUP database
(Z)-caryophyllene 6429301 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
1-methyl-4-[(E)-6-methylhept-4-en-2-yl]benzene 5352479 Click to see CC1=CC=C(C=C1)C(C)CC=CC(C)C 202.33 unknown via CMAUP database
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)- 23204 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown https://doi.org/10.1135/CCCC19582188
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6Z)- 12227246 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
2,6,6,11-Tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-ol 85910272 Click to see CC1=CC(C2C3C1C2(CCCC3(C)C)C)O 220.35 unknown via CMAUP database
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene 6508206 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown https://doi.org/10.1135/CCCC19582188
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
3,4-Dihydrocadalene 528708 Click to see CC1=CCC(C2=C1C=CC(=C2)C)C(C)C 200.32 unknown via CMAUP database
4-(2,2,6-Trimethylcyclohexyl)-3-buten-2-one 6431122 Click to see CC1CCCC(C1C=CC(=O)C)(C)C 194.31 unknown via CMAUP database
4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-3-en-2-one 5352711 Click to see CC1=C(C(CC=C1)(C)C)C=CC(=O)C 190.28 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
alpha-Bulnesene 6432384 Click to see CC1CCC2=C(CCC(CC12)C(=C)C)C 204.35 unknown via CMAUP database
alpha-Curcumene 92139 Click to see CC1=CC=C(C=C1)C(C)CCC=C(C)C 202.33 unknown via CMAUP database
alpha-Santalol 5281531 Click to see CC(=CCCC1(C2CC3C1(C3C2)C)C)CO 220.35 unknown via CMAUP database
Ar-Curcumene 3083834 Click to see CC1=CC=C(C=C1)C(C)CCC=C(C)C 202.33 unknown via CMAUP database
beta-CARYOPHYLLENE OXIDE 1742210 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 unknown via CMAUP database
beta-Curcumene 6428461 Click to see CC1=CCC(=CC1)C(C)CCC=C(C)C 204.35 unknown via CMAUP database
beta-Guaiene 15560252 Click to see CC1CCC(=C(C)C)CC2=C1CCC2C 204.35 unknown via CMAUP database
beta-Ionone 638014 Click to see CC1=C(C(CCC1)(C)C)C=CC(=O)C 192.30 unknown https://doi.org/10.1135/CCCC19582188
beta-Sesquiphellandrene 519764 Click to see CC(CCC=C(C)C)C1CCC(=C)C=C1 204.35 unknown via CMAUP database
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)- 26318 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown https://doi.org/10.1135/CCCC19582188
Bisabola-1,3,5,7(14),10-pentaene 5316440 Click to see CC1=CC=C(C=C1)C(=C)CCC=C(C)C 200.32 unknown via CMAUP database
Caryophyllene 5281515 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown https://doi.org/10.1135/CCCC19582188
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
cis-Nerolidol 5320128 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
Copaene 19725 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown via CMAUP database
d-alpha-Santalol 5368797 Click to see CC(=CCCC1(C2CC3C1(C3C2)C)C)CO 220.35 unknown via CMAUP database
delta-Cadinene 12306054 Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C 204.35 unknown via CMAUP database
Dihydro-alpha-ionone 35821 Click to see CC1=CCCC(C1CCC(=O)C)(C)C 194.31 unknown via CMAUP database
gamma-Gurjunene 90805 Click to see CC1CCC(C=C2C1CCC2C)C(=C)C 204.35 unknown via CMAUP database
Guaiene 6949 Click to see CC1CCC(=C(C)C)CC2=C1CCC2C 204.35 unknown via CMAUP database
Humulene 5281520 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown via CMAUP database
Isocaryophyllene 5281522 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown via CMAUP database
Isocaryophyllene oxide 1742211 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 unknown via CMAUP database
Longifolene 289151 Click to see CC1(CCCC2(C3C1C(C2=C)CC3)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
Nerolidol 8888 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
Selina-4(15),7(11)-diene 10655819 Click to see CC(=C1CCC2(CCCC(=C)C2C1)C)C 204.35 unknown via CMAUP database
trans-Nerolidol 5284507 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown via CMAUP database
Valerenol 91699505 Click to see CC1CCC(C2=C(CCC12)C)C=C(C)CO 220.35 unknown via CMAUP database
Vulgarol B 91748781 Click to see CC1=CC(C2C3C1C2(CCCC3(C)C)C)O 220.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(-)-Alloaromadendrene 10899740 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown via CMAUP database
(+)-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
(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
1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aS,7R,7aR,7bS)-(-)- 44584667 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=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
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
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 / Cedrane and isocedrane sesquiterpenoids
beta-Cedrene 11106485 Click to see CC1CCC2C13CCC(=C)C(C3)C2(C)C 204.35 unknown via CMAUP database
Cedr-8-en-13-ol 519545 Click to see CC1CCC2C13CC=C(C(C3)C2(C)CO)C 220.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
[1R-[1alpha,3alpha,4beta]]-4-Ethenyl-alpha,alpha,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol 11064030 Click to see CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O 222.37 unknown via CMAUP database
alpha-Elemol 6429032 Click to see CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O 222.37 unknown via CMAUP database
Beta-Elemene 6918391 Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C 204.35 unknown https://doi.org/10.1135/CCCC19582188
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
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel- 10583 Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C 204.35 unknown https://doi.org/10.1135/CCCC19582188
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 / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
(8aS)-3,8a-dimethyl-5-methylidene-4,4a,6,9-tetrahydrobenzo[f][1]benzofuran 5319038 Click to see CC1=COC2=C1CC3C(=C)CC=CC3(C2)C 214.30 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
1beta,6alpha-Dihydroxycostic acid ethyl ester 10924365 Click to see CCOC(=O)C(=C)C1CCC2(C(CCC(=C)C2C1O)O)C 294.40 unknown https://doi.org/10.1021/NP030147E
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-[(2R,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-en-1-ol 5316107 Click to see CC12CCCC(=C)C1CC(CC2)C(=C)CO 220.35 unknown via CMAUP database
2-Naphthaleneethanol, 1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-beta-methylene-, (2R,4aR)- 91730038 Click to see CC1=C2CC(CCC2(CCC1)C)C(=C)CO 220.35 unknown via CMAUP database
2-Naphthaleneethanol, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-beta-methylene-, (2R,4aR,8aR)- 13006421 Click to see CC1=CCCC2(C1CC(CC2)C(=C)CO)C 220.35 unknown https://doi.org/10.1016/S0968-0896(02)00471-6
https://doi.org/10.1016/S0040-4020(00)00696-7
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, 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
7-(3-Hydroxyprop-1-en-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol 44715334 Click to see CC12CCCC(C1CC(CC2)C(=C)CO)(C)O 238.37 unknown https://doi.org/10.1021/NP030147E
7-epi-alpha-Selinene 10123 Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C 204.35 unknown https://doi.org/10.1002/HLCA.19770600710
7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene 519361 Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C 204.35 unknown via CMAUP database
alpha-Selinene 10856614 Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C 204.35 unknown https://doi.org/10.1002/HLCA.19770600710
beta-Costol 12304104 Click to see CC12CCCC(=C)C1CC(CC2)C(=C)CO 220.35 unknown https://doi.org/10.1002/HLCA.19770600710
https://doi.org/10.1016/S0968-0896(02)00471-6
https://doi.org/10.1016/S0040-4020(00)00696-7
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
Bicyclo[4.4.0]dec-5-ene, 1,5-dimethyl-3-hydroxy-8-(1-methylene-2-hydroxyethyl-1)- 535386 Click to see CC1=C2CC(CCC2(CC(C1)O)C)C(=C)CO 236.35 unknown via CMAUP database
Costol 12304105 Click to see CC12CCCC(=C)C1CC(CC2)C(=C)CO 220.35 unknown https://doi.org/10.1002/HLCA.19770600710
https://doi.org/10.1016/S0040-4020(00)00696-7
Ethyl 2-(1,5-dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoate 85317451 Click to see CCOC(=O)C(=C)C1CCC2(C(CCC(=C)C2C1O)O)C 294.40 unknown https://doi.org/10.1021/NP030147E
gamma-EUDESMOL 6432005 Click to see CC1=C2CC(CCC2(CCC1)C)C(C)(C)O 222.37 unknown via CMAUP database
Ilicol 44559657 Click to see CC12CCCC(C1CC(CC2)C(=C)CO)(C)O 238.37 unknown https://doi.org/10.1021/NP030147E
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
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
(-)-Germacrene A 9548706 Click to see CC1=CCCC(=CCC(CC1)C(=C)C)C 204.35 unknown https://doi.org/10.1016/S0031-9422(01)00291-6
(1Z,5Z,8S)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene 6440527 Click to see CC1=CCCC(=CCC(CC1)C(=C)C)C 204.35 unknown https://doi.org/10.1016/S0031-9422(01)00291-6
Germacra-1(10),4,11(13)-trien-12-al 25245391 Click to see CC1=CCCC(=CCC(CC1)C(=C)C=O)C 218.33 unknown via CMAUP database
Germacra-1(10),4,11(13)-trien-12-ol 25245123 Click to see CC1=CCCC(=CCC(CC1)C(=C)CO)C 220.35 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 / Sesterterpenoids / Scalarane sesterterpenoids
(3S,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol 5319977 Click to see CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)CO)C 442.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
methyl (4aR,7S,7aR)-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 24177537 Click to see CC1(CCC2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O 406.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 24179958 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC6C(C(C(CO6)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C 943.10 unknown via CMAUP database
Chionaeoside A 24179855 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC6C(C(C(CO6)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)C 1105.20 unknown via CMAUP database
Chionaeoside C 24179957 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC6C(C(C(CO6)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C 780.90 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
Lychnopholide 49767028 Click to see CC=C(C)C(=O)OC1CC2(C(=O)C=C(O2)C(=CC3C1C(=C)C(=O)O3)C)C 358.40 unknown https://doi.org/10.1016/S0367-326X(99)00122-7
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
(2S)-1-[[(3R,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-9-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-3-yl]methyl]pyrrolidine-2-carboxylic acid 10406411 Click to see CC12CCC3C(C(=O)OC3C1C(=C)CCC2O)CN4CCCC4C(=O)O 363.40 unknown https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
(3R,3aS,5aR,9aS,9bS)-3-(methoxymethyl)-5a-methyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one 44568209 Click to see CC12CCCC(=C)C1C3C(CC2)C(C(=O)O3)COC 264.36 unknown https://doi.org/10.1016/J.BMCL.2008.06.008
(3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one 159971 Click to see CC1C2CCC3(CCCC(C3C2OC1=O)(C)O)C 252.35 unknown https://doi.org/10.1021/NP030147E
(5aR,6R)-6-hydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one 5320943 Click to see CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C 248.32 unknown via CMAUP database
(5aR,9R,9aS,9bS)-9-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one 11086187 Click to see CC12CCCC(C1C3C(CC2)C(=C)C(=O)O3)(C)O 250.33 unknown via CMAUP database
(5aR)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one 5316245 Click to see CC1=CCCC2(C1C3C(CC2)C(=C)C(=O)O3)C 232.32 unknown via CMAUP database
(6-hydroxy-5a-methyl-9-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-3-yl)methanesulfonic acid 85432211 Click to see CC12CCC3C(C(=O)OC3C1C(=C)CCC2O)CS(=O)(=O)O 330.40 unknown https://doi.org/10.1248/CPB.53.841
(6-Hydroxy-5a,9-dimethyl-2-oxo-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-3-yl)methanesulfonic acid 72979508 Click to see CC1=CCC(C2(C1C3C(CC2)C(C(=O)O3)CS(=O)(=O)O)C)O 330.40 unknown https://doi.org/10.1248/CPB.53.841
[(3S,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-9-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-3-yl]methanesulfonic acid 11198301 Click to see CC12CCC3C(C(=O)OC3C1C(=C)CCC2O)CS(=O)(=O)O 330.40 unknown https://doi.org/10.1248/CPB.53.841
[(3S,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-2-oxo-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-3-yl]methanesulfonic acid 11484317 Click to see CC1=CCC(C2(C1C3C(CC2)C(C(=O)O3)CS(=O)(=O)O)C)O 330.40 unknown https://doi.org/10.1248/CPB.53.841
1-[(6-hydroxy-5a-methyl-9-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-3-yl)methyl]pyrrolidine-2-carboxylic acid 85134277 Click to see CC12CCC3C(C(=O)OC3C1C(=C)CCC2O)CN4CCCC4C(=O)O 363.40 unknown https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
1-[(6-Hydroxy-5a,9-dimethyl-2-oxo-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-3-yl)methyl]pyrrolidine-2-carboxylic acid 72767109 Click to see CC1=CCC(C2(C1C3C(CC2)C(C(=O)O3)CN4CCCC4C(=O)O)C)O 363.40 unknown https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
3abeta,4,5,5a,6,7,8,9,9abeta,9balpha-Decahydro-3beta,5aalpha,9alpha-trimethyl-6alpha,9-dihydroxynaphtho[1,2-b]furan-2(3H)-one 11119093 Click to see CC1C2CCC3(C(CCC(C3C2OC1=O)(C)O)O)C 268.35 unknown via CMAUP database
6-hydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one 13895719 Click to see CC1C2CCC3(C(CCC(=C)C3C2OC1=O)O)C 250.33 unknown https://doi.org/10.1021/NP030147E
6-Hydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3h)-one 98958 Click to see CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C 248.32 unknown https://doi.org/10.1021/NP030147E
https://doi.org/10.1055/S-2006-957528
https://doi.org/10.1007/S12272-001-1154-0
https://doi.org/10.1055/S-2006-957480
9-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one 14486956 Click to see CC1C2CCC3(CCCC(C3C2OC1=O)(C)O)C 252.35 unknown https://doi.org/10.1021/NP030147E
9-Hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one 5089293 Click to see CC12CCCC(C1C3C(CC2)C(=C)C(=O)O3)(C)O 250.33 unknown https://doi.org/10.1007/S12272-001-1154-0
https://doi.org/10.1021/NP030147E
Alantolactone 72724 Click to see CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C 232.32 unknown https://doi.org/10.1016/J.JEP.2014.07.037
Arbusculin A 160153 Click to see CC12CCCC(C1C3C(CC2)C(=C)C(=O)O3)(C)O 250.33 unknown https://doi.org/10.1021/NP030147E
beta-Cyclocostunolide 442192 Click to see CC12CCCC(=C)C1C3C(CC2)C(=C)C(=O)O3 232.32 unknown https://doi.org/10.1016/J.BMCL.2008.06.008
Bohlmann K2631 327378 Click to see CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C 232.32 unknown https://doi.org/10.1016/J.JEP.2014.07.037
Critonilide 325063 Click to see CC12CCCC(=C)C1C3C(CC2)C(=C)C(=O)O3 232.32 unknown via CMAUP database
Dihydroreynosin 189086 Click to see CC1C2CCC3(C(CCC(=C)C3C2OC1=O)O)C 250.33 unknown https://doi.org/10.1021/NP030147E
Helenin,(S) 6540817 Click to see CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C 232.32 unknown via CMAUP database
Isoalantolactone 73285 Click to see CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C 232.32 unknown https://doi.org/10.1016/J.JEP.2014.07.037
Isocritonilide 101316793 Click to see CC1=CCCC2(C1C3C(CC2)C(=C)C(=O)O3)C 232.32 unknown via CMAUP database
Isohelenin, Inula sp. 10130839 Click to see CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C 232.32 unknown via CMAUP database
Magnolialide 636954 Click to see CC1=C2C3C(CCC2(C(CC1)O)C)C(=C)C(=O)O3 248.32 unknown via CMAUP database
Reynosin 482788 Click to see CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C 248.32 unknown https://doi.org/10.1021/NP030147E
https://doi.org/10.1055/S-2006-957528
https://doi.org/10.1055/S-2006-957480
Santamarine 188297 Click to see CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O 248.32 unknown https://doi.org/10.1021/NP030147E
https://doi.org/10.1055/S-2006-957528
Saussureamine D 9975956 Click to see CC1=CCC(C2(C1C3C(CC2)C(C(=O)O3)CN4CCCC4C(=O)O)C)O 363.40 unknown https://doi.org/10.1016/S0968-0896(02)00471-6
https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
Sesquiterpene lactone CP-1 331391 Click to see CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O 248.32 unknown https://doi.org/10.1055/S-2006-957528
https://doi.org/10.1021/NP030147E
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
(+)-Costunolide 5458201 Click to see CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C 232.32 unknown via CMAUP database
(2S)-1-[[(3aS,6E,10E)-6,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid 5321144 Click to see CC1=CCCC(=CC2C(CC1)C(C(=O)O2)CN3CCCC3C(=O)O)C 347.40 unknown https://doi.org/10.1016/S0968-0896(02)00471-6
https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
(3aS,6E,10Z,11aR)-6-methyl-3-methylidene-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one 21636024 Click to see CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)COC3C(C(C(C(O3)CO)O)O)O 410.50 unknown https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
https://doi.org/10.1016/S0968-0896(02)00471-6
(3aS,6E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one 133640194 Click to see CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C 232.32 unknown https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1016/S0968-0896(02)00471-6
https://doi.org/10.1021/NP50048A026
https://doi.org/10.1016/S0304-3835(02)00361-0
https://doi.org/10.1016/0031-9422(95)00353-9
https://doi.org/10.1248/CPB.33.1285
https://doi.org/10.1007/S12272-001-1154-0
https://doi.org/10.1271/BBB1961.51.585
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8541643/
https://doi.org/10.1016/S0944-7113(96)80028-6
https://doi.org/10.1002/JCCS.199700053
(3R,3aS,6E,10E,11aS)-3-(methoxymethyl)-6,10-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 163022246 Click to see CC1=CCCC(=CC2C(CC1)C(C(=O)O2)COC)C 264.36 unknown https://doi.org/10.1016/J.BMCL.2008.06.008
(3R,3aS,6E,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 14164874 Click to see CC1C2CCC(=CCCC(=CC2OC1=O)C)C 234.33 unknown https://doi.org/10.1016/S0031-9422(00)82384-5
(3S,3aS,11aS)-3-(methoxymethyl)-6,10-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 163022247 Click to see CC1=CCCC(=CC2C(CC1)C(C(=O)O2)COC)C 264.36 unknown https://doi.org/10.1016/S0031-9422(00)82384-5
(3S,3aS,6E,10E,11aS)-3-(methoxymethyl)-6,10-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 163186961 Click to see CC1=CCCC(=CC2C(CC1)C(C(=O)O2)COC)C 264.36 unknown https://doi.org/10.1016/S0031-9422(00)82384-5
(3S,3aS,6E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 163041869 Click to see CC1C2CCC(=CCCC(=CC2OC1=O)C)C 234.33 unknown https://doi.org/10.1016/J.BMCL.2008.06.008
(6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one 5316108 Click to see CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C 232.32 unknown via CMAUP database
1-[(6,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-3-yl)methyl]pyrrolidine-2-carboxylic acid 77211466 Click to see CC1=CCCC(=CC2C(CC1)C(C(=O)O2)CN3CCCC3C(=O)O)C 347.40 unknown https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one 102769 Click to see CC1C2CCC(=CCCC(=CC2OC1=O)C)C 234.33 unknown https://doi.org/10.1021/NP030147E
https://doi.org/10.1016/J.BMCL.2008.06.008
https://doi.org/10.1016/S0031-9422(00)82384-5
6,10-Dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one 556919 Click to see CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C 232.32 unknown https://doi.org/10.1021/NP030147E
https://doi.org/10.1007/S12272-001-1154-0
6,10-Dimethyl-3-methylidene-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-2-one 74347096 Click to see CC1CCCC(=CC2C(CC1)C(=C)C(=O)O2)C 234.33 unknown https://doi.org/10.1016/J.BMCL.2008.06.008
CID 6917068 6917068 Click to see CC1C2CCC(=CCCC(=CC2OC1=O)C)C 234.33 unknown https://doi.org/10.1021/NP030147E
https://doi.org/10.1016/J.BMCL.2008.06.008
Costunlide 5380858 Click to see CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C 232.32 unknown via CMAUP database
Costunolid 6436243 Click to see CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C 232.32 unknown via CMAUP database
Costunolide 5281437 Click to see CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C 232.32 unknown https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1016/S0968-0896(02)00471-6
https://doi.org/10.1021/NP50048A026
https://doi.org/10.1016/S0304-3835(02)00361-0
https://doi.org/10.1016/0031-9422(95)00353-9
https://doi.org/10.1248/CPB.33.1285
https://doi.org/10.1007/S12272-001-1154-0
https://doi.org/10.1271/BBB1961.51.585
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8541643/
https://doi.org/10.1016/S0944-7113(96)80028-6
https://doi.org/10.1021/NP030147E
https://doi.org/10.1002/JCCS.199700053
Costus lactone 5367559 Click to see CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C 232.32 unknown via CMAUP database
Isodihydrocostunolide 24893995 Click to see CC1CCCC(=CC2C(CC1)C(=C)C(=O)O2)C 234.33 unknown https://doi.org/10.1016/J.BMCL.2008.06.008
Saussureamine A 10427798 Click to see CC1=CCCC(=CC2C(CC1)C(C(=O)O2)CN3CCCC3C(=O)O)C 347.40 unknown https://doi.org/10.1016/S0968-0896(02)00471-6
https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
Soulangianolide A 101320297 Click to see CC1=CC2C(CCC(=CCC1)CO)C(=C)C(=O)O2 248.32 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
(2S)-1-[[(3aS)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid 5321145 Click to see C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CN4CCCC4C(=O)O 345.40 unknown https://doi.org/10.1016/S0968-0896(02)00471-6
https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
(3aR,5aS,9R,9aR,9bR)-9-[[(3S,3aS,6aS,9aS,9bS)-3-hydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl]methyl]-5a,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2,6-dione 162919013 Click to see CC1(CCC(=O)C2(C1C3C(CC2)C(=C)C(=O)O3)C)CC4(C5CCC(=C)C6CCC(=C)C6C5OC4=O)O 494.60 unknown https://doi.org/10.1021/NP030147E
(3aS,5aR,9S,9aS,9bS)-9-[[(3R,3aR,6aR,9aR,9bR)-3-hydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl]methyl]-5a,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2,6-dione 11081540 Click to see CC1(CCC(=O)C2(C1C3C(CC2)C(=C)C(=O)O3)C)CC4(C5CCC(=C)C6CCC(=C)C6C5OC4=O)O 494.60 unknown https://doi.org/10.1021/NP030147E
(3aS,6aR,9aR,9bR)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one 11673075 Click to see C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C 230.30 unknown via CMAUP database
(3aS,6aR,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one 11687412 Click to see C=C1CCC2C(C3C1CC(C3=C)O)OC(=O)C2=C 246.30 unknown via CMAUP database
(3aS,6aR,9aR,9bS)-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[8,7-b]furan-9-carbaldehyde 15765000 Click to see C=C1CCC2C(C3C1CC=C3C=O)OC(=O)C2=C 244.28 unknown https://doi.org/10.1016/0031-9422(95)00353-9
(3aS,6aR,9S,9aS,9bS)-9-methoxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one 163003403 Click to see CC1(CCC2C1C3C(CCC2=C)C(=C)C(=O)O3)OC 262.34 unknown https://doi.org/10.1016/0031-9422(92)83317-R
(3aS)-9-methyl-3,6-dimethylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one 5318545 Click to see CC1=CCC2C1C3C(CCC2=C)C(=C)C(=O)O3 230.30 unknown https://doi.org/10.1016/0031-9422(83)80031-4
(3R,3aR,6aR,8R,9aR,9bR)-8-hydroxy-6,9-dimethylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3,2'-oxirane]-2-one 15386528 Click to see C=C1CCC2C(C3C1CC(C3=C)O)OC(=O)C24CO4 262.30 unknown https://doi.org/10.1016/S0031-9422(97)00906-0
(3R,3aR,6aR,9aR,9bR)-6,9-dimethylidenespiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-3,2'-oxirane]-2,8-dione 15386529 Click to see C=C1CCC2C(C3C1CC(=O)C3=C)OC(=O)C24CO4 260.28 unknown https://doi.org/10.1016/S0031-9422(97)00906-0
(3R,3aS,6aR,9aR,9bS)-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one 10704750 Click to see CC1C2CCC(=C)C3CCC(=C)C3C2OC1=O 232.32 unknown https://doi.org/10.1016/S0031-9422(00)82384-5
(3S,3aS,6aR,8R,9aR,9bS)-8-hydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one 44559655 Click to see CC1C2CCC(=C)C3CC(C(=C)C3C2OC1=O)O 248.32 unknown https://doi.org/10.1021/NP030147E
(3S,3aS,6aR,9aR,9bS)-3-(methoxymethyl)-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one 15894247 Click to see COCC1C2CCC(=C)C3CCC(=C)C3C2OC1=O 262.34 unknown https://doi.org/10.1016/S0031-9422(00)82384-5
(6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl)methanesulfonic acid 78062324 Click to see C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CS(=O)(=O)O 312.40 unknown https://doi.org/10.1248/CPB.56.864
[(4S,6aR,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate 10337669 Click to see C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)OC(=O)C(=C)CO 346.40 unknown via CMAUP database
1-[(6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl)methyl]pyrrolidine-2-carboxylic acid 15628145 Click to see C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CN4CCCC4C(=O)O 345.40 unknown https://doi.org/10.1248/CPB.41.214
https://doi.org/10.1016/S0040-4020(00)00696-7
2-[[(3aS)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl]methylamino]-4-amino-4-oxobutanoic acid 5321146 Click to see C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CNC(CC(=O)N)C(=O)O 362.40 unknown https://doi.org/10.1016/S0968-0896(02)00471-6
https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
3-(methoxymethyl)-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one 5319426 Click to see COCC1C2CCC(=C)C3CCC(=C)C3C2OC1=O 262.34 unknown https://doi.org/10.1016/S0031-9422(00)82384-5
3-Hydroxy-6,9-dimethylidene-3-(2-oxopropyl)-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one 85353728 Click to see CC(=O)CC1(C2CCC(=C)C3CCC(=C)C3C2OC1=O)O 290.40 unknown https://doi.org/10.1021/NP030147E
3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[8,7-b]furan-9-carbaldehyde 162897952 Click to see C=C1CCC2C(C3C1CC=C3C=O)OC(=O)C2=C 244.28 unknown https://doi.org/10.1016/0031-9422(95)00353-9
3,6,9-Trimethyldecahydroazuleno[4,5-b]furan-2(9bh)-one 5316109 Click to see CC1CCC2C(C(=O)OC2C3C1CCC3C)C 236.35 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3719259/
4-amino-2-[(6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl)methylamino]-4-oxobutanoic acid 78385456 Click to see C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CNC(CC(=O)N)C(=O)O 362.40 unknown https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
8-hydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one 14314698 Click to see CC1C2CCC(=C)C3CC(C(=C)C3C2OC1=O)O 248.32 unknown https://doi.org/10.1021/NP030147E
8-Hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one 425954 Click to see C=C1CCC2C(C3C1CC(C3=C)O)OC(=O)C2=C 246.30 unknown https://doi.org/10.1021/NP030147E
https://doi.org/10.1016/0031-9422(83)80031-4
9-[(3-hydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl)methyl]-5a,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2,6-dione 85110209 Click to see CC1(CCC(=O)C2(C1C3C(CC2)C(=C)C(=O)O3)C)CC4(C5CCC(=C)C6CCC(=C)C6C5OC4=O)O 494.60 unknown https://doi.org/10.1021/NP030147E
9-Methoxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one 78385260 Click to see CC1(CCC2C1C3C(CCC2=C)C(=C)C(=O)O3)OC 262.34 unknown https://doi.org/10.1016/0031-9422(92)83317-R
9-methyl-3,6-dimethylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one 21093319 Click to see CC1=CCC2C1C3C(CCC2=C)C(=C)C(=O)O3 230.30 unknown https://doi.org/10.1016/0031-9422(83)80031-4
Cynaropicrin 119093 Click to see C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)OC(=O)C(=C)CO 346.40 unknown https://doi.org/10.1016/J.EJPHAR.2004.03.027
https://doi.org/10.1055/S-2006-957528
Dehydrocostus lactone, (-)- 73174 Click to see C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C 230.30 unknown https://doi.org/10.1016/S0944-7113(96)80028-6
https://doi.org/10.1021/NP50048A026
https://doi.org/10.1016/0031-9422(92)83317-R
https://doi.org/10.1016/S0367-326X(99)00122-7
https://doi.org/10.1016/0031-9422(95)00353-9
https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1016/J.BMCL.2008.06.008
https://doi.org/10.1016/S0968-0896(02)00471-6
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8541643/
https://doi.org/10.1021/NP030147E
https://doi.org/10.1002/PTR.2650040408
https://doi.org/10.1271/BBB1961.51.585
https://doi.org/10.1055/S-1999-13968
https://doi.org/10.1002/JCCS.199700053
https://doi.org/10.1016/J.FCT.2008.08.038
Dehydrocostuslactone 4426320 Click to see C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C 230.30 unknown https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1016/J.BMCL.2008.06.008
https://doi.org/10.1016/0031-9422(95)00353-9
https://doi.org/10.1021/NP030147E
https://doi.org/10.1002/JCCS.199700053
Dihydrodehydrocostus lactone 5316702 Click to see CC1C2CCC(=C)C3CCC(=C)C3C2OC1=O 232.32 unknown https://doi.org/10.1016/S0031-9422(00)82384-5
Isodehydrocostus lactone 10933292 Click to see CC1=CCC2C1C3C(CCC2=C)C(=C)C(=O)O3 230.30 unknown https://doi.org/10.1016/0031-9422(83)80031-4
Isozaluzanin C 470970 Click to see C=C1CCC2C(C3C1CC(C3=C)O)OC(=O)C2=C 246.30 unknown https://doi.org/10.1021/NP030147E
https://doi.org/10.1016/0031-9422(83)80031-4
Lappalone 10979139 Click to see CC(=O)CC1(C2CCC(=C)C3CCC(=C)C3C2OC1=O)O 290.40 unknown https://doi.org/10.1021/NP030147E
Saupirin 181128 Click to see C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)OC(=O)C(=C)CO 346.40 unknown https://doi.org/10.1055/S-2006-957528
https://doi.org/10.1016/J.EJPHAR.2004.03.027
Saussureamine B 10360205 Click to see C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CN4CCCC4C(=O)O 345.40 unknown https://doi.org/10.1016/S0968-0896(02)00471-6
https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
Saussureamine C 9998735 Click to see C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CNC(CC(=O)N)C(=O)O 362.40 unknown https://doi.org/10.1016/S0968-0896(02)00471-6
https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
Sulfocostunolide A 71355856 Click to see C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CS(=O)(=O)O 312.40 unknown https://doi.org/10.1248/CPB.56.864
Sulfocostunolide B 71355855 Click to see C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CS(=O)(=O)O 312.40 unknown https://doi.org/10.1248/CPB.56.864
Zaluzanin C 72646 Click to see C=C1CCC2C(C3C1CC(C3=C)O)OC(=O)C2=C 246.30 unknown https://doi.org/10.1021/NP030147E
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol 51340201 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO 442.70 unknown via CMAUP database
(3S,6aR,6bR,8aR,12S,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol 5270604 Click to see CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C 426.70 unknown via CMAUP database
[(3S,6aR,6bS,8aR,12aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate 10032370 Click to see CCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C 665.10 unknown via CMAUP database
Chionaeoside D 24179959 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC6C(C(C(CO6)O)O)O)C)C)C2C1)C)C(=O)O)C 618.80 unknown via CMAUP database
N'-[N-(2a,3b-Dihydroxy-12-oleanen-28-oyl)-L-alanyl]-glycine 44570740 Click to see CC(C(=O)NCC(=O)O)NC(=O)C12CCC(CC1C3=CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)(C)C 600.80 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 6857422 Click to see CCC1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C 288.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3719259/
> 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
(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
(3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5S)-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 636741 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-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 via CMAUP database
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
beta-Sitosterol 3-O-beta-D-galactopyranoside 296119 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 576.80 unknown https://doi.org/10.1002/CHIN.200429169
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
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/10.1002/CHIN.200429169
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid amides
Acetic acid,(5-oxopiperazinylidene)-,ethyl ester,(2E)-(9ci) 45099884 Click to see CCOC(=O)C=C1CNC(=O)CN1 184.19 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)-2-azaniumyl-5-(carbamoylamino)pentanoate 7004911 Click to see C(CC(C(=O)[O-])[NH3+])CNC(=O)N 175.19 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 and derivatives
Ethyl 2-acetamido-2-(dimethylamino)acetate 14860697 Click to see CCOC(=O)C(NC(=O)C)N(C)C 188.22 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Dipeptides
N-[(1-{[(3E,9Z)-5-isopropyl-2,7-dioxo-1,6-diazacyclododeca-3,9-dien-8-yl]carbamoyl}-2-methylpropyl)carbamoyl]valine 24978526 Click to see CC(C)C1C=CC(=O)NCCC=CC(C(=O)N1)NC(=O)C(C(C)C)NC(=O)NC(C(C)C)C(=O)O 493.60 unknown https://doi.org/10.1016/S0040-4020(00)00696-7
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
9beta-Acetoxy-3,5,8-trimethyltricyclo[6.3.1.0(1,5)]dodec-2-ene 595366 Click to see CC1=CC23CCC(C(C2)(CCC3(C1)C)C)OC(=O)C 262.40 unknown via CMAUP database
Ethyl (2Z)-(hydroxyimino)(methylsulfanyl)acetate 20260950 Click to see CCOC(=O)C(=NO)SC 163.20 unknown via CMAUP database
Ethyl Acetate 8857 Click to see CCOC(=O)C 88.11 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
Butanedioate;hydron 21952380 Click to see [H+].[H+].C(CC(=O)[O-])C(=O)[O-] 118.09 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / C-glycosyl compounds
(1S,5R,7R,8S,9R)-7-Phenyl-8,9-dihydroxy-2,6-dioxabicyclo[3.3.1]nonane-3-one 9992276 Click to see C1C2C(C(C(C(O2)C3=CC=CC=C3)O)OC1=O)O 250.25 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
4-[(3S,8R)-1,5-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.2.1]octan-8-yl]butan-2-one 102004450 Click to see CC(=O)CCC1C2(CC(CC1(OC2)C)OC3C(C(C(C(O3)CO)O)O)O)C 388.50 unknown via CMAUP database
alpha-D-Glucopyranoside, beta-D-fructofuranosyl 91692850 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 via CMAUP database
Ascleposide E 10668005 Click to see CC(=O)CCC1C2(CC(CC1(OC2)C)OC3C(C(C(C(O3)CO)O)O)O)C 388.50 unknown via CMAUP database
Benzyl beta-d-glucopyranoside 188977 Click to see C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O 270.28 unknown 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://doi.org/10.1007/S10600-011-9927-Z
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/10.1007/S10600-011-9927-Z
Sucrose NF 46782954 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 via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
(3S,4R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol 24847743 Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO 372.40 unknown via CMAUP database
Eleutheroside B 5316860 Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO 372.40 unknown https://doi.org/10.1248/CPB.41.214
https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1016/S0968-0896(02)00471-6
Phenyl beta-D-glucopyranoside 65080 Click to see C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O 256.25 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 / Oligosaccharides
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 5045177 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)CO)O)O)O)O 504.40 unknown https://doi.org/10.1007/S10600-011-9927-Z
1-Kestose 440080 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)CO)O)O)O)O 504.40 unknown https://doi.org/10.1007/S10600-011-9927-Z
1,1,1,1-Kestohexaose 50938612 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)COC6(C(C(C(O6)CO)O)O)CO)O)O)O)O 990.90 unknown https://doi.org/10.1007/S10600-011-9927-Z
1,1,1,1-Kestohexose 75585866 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)COC6(C(C(C(O6)CO)O)O)CO)O)O)O)O 990.90 unknown https://doi.org/10.1007/S10600-011-9927-Z
1F-Fructofuranosylnystose 3085157 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)CO)O)O)O)O 828.70 unknown https://doi.org/10.1007/S10600-011-9927-Z
b-D-Fructofuranosyl-(2->1)-b-D-fructofuranosyl-(2->1)-b-D-fructofuranosyl a-D-glucopyranoside, 9CI 3707011 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)CO)O)O)O)O 666.60 unknown https://doi.org/10.1007/S10600-011-9927-Z
Hex2ulof(?2-1)Hex2ulof(?2-1)Hex2ulof(?2-1)Hex2ulof(?2-1?)Hex 13375991 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)CO)O)O)O)O 828.70 unknown https://doi.org/10.1007/S10600-011-9927-Z
Nystose 166775 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)CO)O)O)O)O 666.60 unknown https://doi.org/10.1007/S10600-011-9927-Z
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
5-Hydroxymethylfurfural 237332 Click to see C1=C(OC(=C1)C=O)CO 126.11 unknown via CMAUP database
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
Hexanal 6184 Click to see CCCCCC=O 100.16 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
3,3,6-Trimethylhepta-1,5-dien-4-one 68346 Click to see CC(=CC(=O)C(C)(C)C=C)C 152.23 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
4-Hydroxybenzaldehyde 126 Click to see C1=CC(=CC=C1C=O)O 122.12 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
(3aR,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-2-one 163188348 Click to see CC12CCCC(=C)C1C3CC(=O)C(=C)C3CC2 230.34 unknown https://doi.org/10.1016/J.BMCL.2008.06.008
5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-2-one 162902918 Click to see CC12CCCC(=C)C1C3CC(=O)C(=C)C3CC2 230.34 unknown https://doi.org/10.1016/J.BMCL.2008.06.008
Cyclododecanone 13246 Click to see C1CCCCCC(=O)CCCCC1 182.30 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
(R)-4-Isopropylcyclohex-2-enone 642520 Click to see CC(C)C1CCC(=O)C=C1 138.21 unknown via CMAUP database
4-Isopropyl-2-cyclohexenone 92780 Click to see CC(C)C1CCC(=O)C=C1 138.21 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
(E)-6,10-Dimethyl-9-methylene-5-undecen-2-one 5318635 Click to see CC(C)C(=C)CCC(=CCCC(=O)C)C 208.34 unknown https://doi.org/10.1002/HLCA.19770600710
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
Acetosyringone 17198 Click to see CC(=O)C1=CC(=C(C(=C1)OC)O)OC 196.20 unknown via CMAUP database
Paeonol 11092 Click to see CC(=O)C1=C(C=C(C=C1)OC)O 166.17 unknown via CMAUP database
> Organoheterocyclic compounds / Benzodioxoles
Safrole 5144 Click to see C=CCC1=CC2=C(C=C1)OCO2 162.18 unknown via CMAUP database
> Organoheterocyclic compounds / Benzofurans
4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one 27209 Click to see CC1(CCCC2(C1=CC(=O)O2)C)C 180.24 unknown via CMAUP database
Dihydroactinidiolide 6432173 Click to see CC1(CCCC2(C1=CC(=O)O2)C)C 180.24 unknown via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromones
Noreugenin 5375252 Click to see CC1=CC(=O)C2=C(C=C(C=C2O1)O)O 192.17 unknown via CMAUP database
> Organoheterocyclic compounds / Dihydroisoquinolines
Cotarninium 160909 Click to see C[N+]1=CC2=C(C3=C(C=C2CC1)OCO3)OC 220.24 unknown via CMAUP database
> Organoheterocyclic compounds / Furofurans
(+)-Goniofufurone 11096987 Click to see C1C2C(C(C(O2)C(C3=CC=CC=C3)O)O)OC1=O 250.25 unknown via CMAUP database
> Organoheterocyclic compounds / Furopyrans
(1R,2R,3S,5R,6R,7S,10S,11R,15R)-6-hydroxy-13-methyl-5-phenyl-15-propan-2-yl-4,8-dioxatetracyclo[9.2.2.02,10.03,7]pentadec-12-en-9-one 21602289 Click to see CC1=CC2C(CC1C3C2C(=O)OC4C3OC(C4O)C5=CC=CC=C5)C(C)C 368.50 unknown via CMAUP database
Altholactone 442513 Click to see C1=CC=C(C=C1)C2C(C3C(O2)C=CC(=O)O3)O 232.23 unknown via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
5-Methoxy-n,n-dimethyltryptamine-n-oxide 5319429 Click to see C[N+](C)(CCC1=CNC2=C1C=C(C=C2)OC)[O-] 234.29 unknown via CMAUP database
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(3aS,5aS,8S,8aR,8bS)-5a,8-dimethyl-3-methylidene-2-oxo-4,5,6,7,8a,8b-hexahydro-3aH-cyclopenta[g][1]benzofuran-8-carbaldehyde 162951922 Click to see CC12CCC3C(C1C(CC2)(C)C=O)OC(=O)C3=C 248.32 unknown https://doi.org/10.1016/0031-9422(91)83069-W
https://doi.org/10.1016/0031-9422(92)83317-R
(3aS,9aS,9bS)-9-methyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-6-carbaldehyde 162891571 Click to see CC1=CCC2=C(CCC3C(C12)OC(=O)C3=C)C=O 244.28 unknown https://doi.org/10.1016/0031-9422(95)00353-9
(4R,5S)-4-hydroxy-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one 639643 Click to see C1C(C(OC1=O)C(C(C(C2=CC=CC=C2)O)O)O)O 268.26 unknown via CMAUP database
5a,8-dimethyl-3-methylidene-2-oxo-4,5,6,7,8a,8b-hexahydro-3aH-cyclopenta[g][1]benzofuran-8-carbaldehyde 162951920 Click to see CC12CCC3C(C1C(CC2)(C)C=O)OC(=O)C3=C 248.32 unknown https://doi.org/10.1016/0031-9422(91)83069-W
https://doi.org/10.1016/0031-9422(92)83317-R
9-Methyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-6-carbaldehyde 162891570 Click to see CC1=CCC2=C(CCC3C(C12)OC(=O)C3=C)C=O 244.28 unknown https://doi.org/10.1016/0031-9422(95)00353-9
> Organoheterocyclic compounds / Naphthofurans
(2S)-1-[[(3R,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-9-methylidene-2,3,3a,4,5,6,7,8,9a,9b-decahydrobenzo[g][1]benzofuran-3-yl]methyl]pyrrolidine-2-carboxylic acid 101641686 Click to see CC12CCC3C(COC3C1C(=C)CCC2O)CN4CCCC4C(=O)O 349.50 unknown https://doi.org/10.1016/S0968-0896(02)00471-6
https://doi.org/10.1016/S0040-4020(00)00696-7
https://doi.org/10.1248/CPB.41.214
(3'R,3'aS,5'aR,9'aS,9'bS)-3'-(methoxymethyl)-5'a-methylspiro[1,2,4-trioxolane-3,9'-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran]-2'-one 44568210 Click to see CC12CCCC3(C1C4C(CC2)C(C(=O)O4)COC)OCOO3 312.36 unknown https://doi.org/10.1016/J.BMCL.2008.06.008
(3R,3aS,5aR,9aS,9bS)-3-(methoxymethyl)-5a-methyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,9-dione 44568211 Click to see CC12CCCC(=O)C1C3C(CC2)C(C(=O)O3)COC 266.33 unknown https://doi.org/10.1016/J.BMCL.2008.06.008
> Organoheterocyclic compounds / Oxanes
Eucalyptol 2758 Click to see CC1(C2CCC(O1)(CC2)C)C 154.25 unknown via CMAUP database
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives / Dihydropyranones
[(4S)-2-oxo-4-[(E)-1-oxobut-2-en-2-yl]-3,4-dihydropyran-5-yl] acetate 5317027 Click to see CC=C(C=O)C1CC(=O)OC=C1OC(=O)C 224.21 unknown via CMAUP database
Goniodiol 180702 Click to see C1C=CC(=O)OC1C(C(C2=CC=CC=C2)O)O 234.25 unknown via CMAUP database
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
Odoratisol A 11703153 Click to see CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C(=C3)OC)O)OC 356.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamaldehydes
Cinnamaldehyde 637511 Click to see C1=CC=C(C=C1)C=CC=O 132.16 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
Scopoletin 5280460 Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)O 192.17 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid 3-O-p-coumaroyl glycosides
[(2R,3S,4S,5R,6S)-6-[7-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 163193181 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)OC5C(C(C(C(O5)COC(=O)C=CC6=CC(=C(C=C6)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C8=CC=C(C=C8)O)O)CO)O)OC9C(C(C(C(O9)COC(=O)C)O)O)O)O)O)O 1285.10 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149399/
[6-[7-[4-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate 162872430 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)OC5C(C(C(C(O5)COC(=O)C=CC6=CC(=C(C=C6)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C8=CC=C(C=C8)O)O)CO)O)OC9C(C(C(C(O9)COC(=O)C)O)O)O)O)O)O 1285.10 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149399/
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-2-[2-[3-[(3R)-3-acetyloxy-5,5-dimethylcyclopenten-1-yl]-4-methoxyphenyl]-5,6-dihydroxy-4-oxochromen-7-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate 162982326 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)C6=CC(CC6(C)C)OC(=O)C)O)O)CO)O)OC7C(C(C(C(O7)COC(=O)C)O)O)O)O)O)O 964.90 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149399/
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6R)-2-[3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate 163025805 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)C)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)C8=CC=C(C=C8)O)O)CO)O)OC9C(C(C(C(O9)COC(=O)C)O)O)O)O)O)O 1269.10 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149399/
[(2S,3R,4R,5S,6S)-2-[7-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate 163191985 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)OC5C(C(C(C(O5)C)O)OC(=O)C=CC6=CC=C(C=C6)O)OC(=O)C=CC7=CC=C(C=C7)O)C8=CC=C(C=C8)O)O)CO)O)OC9C(C(C(C(O9)COC(=O)C)O)O)O)O)O)O 1237.10 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149399/
[2-[7-[4-[6-(Acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-6-methyloxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate 162995575 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)OC5C(C(C(C(O5)C)O)OC(=O)C=CC6=CC=C(C=C6)O)OC(=O)C=CC7=CC=C(C=C7)O)C8=CC=C(C=C8)O)O)CO)O)OC9C(C(C(C(O9)COC(=O)C)O)O)O)O)O)O 1237.10 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149399/
[6-[2-[2-[3-(3-Acetyloxy-5,5-dimethylcyclopenten-1-yl)-4-methoxyphenyl]-5,6-dihydroxy-4-oxochromen-7-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate 162982325 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)C6=CC(CC6(C)C)OC(=O)C)O)O)CO)O)OC7C(C(C(C(O7)COC(=O)C)O)O)O)O)O)O 964.90 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149399/
[6-[2-[3-[6-[[3,4-Dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate 163025804 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)C)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)C8=CC=C(C=C8)O)O)CO)O)OC9C(C(C(C(O9)COC(=O)C)O)O)O)O)O)O 1269.10 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149399/
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
5,8-Dideuterio-7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one 11994876 Click to see COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O 290.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Macrolactams
9-Benzoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one 4485351 Click to see C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 379.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Saxitoxins, gonyautoxins, and derivatives
Saxitoxin 56947150 Click to see C1CN2C(=NC(C3C2(C1(O)O)NC(=N3)N)COC(=O)N)N 299.29 unknown via CMAUP database

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