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CHEBI:187939 - astrogorgiadiol B

ChEBI IDCHEBI:187939
ChEBI Nameastrogorgiadiol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@H](O)[C@H]2CCc1cc(O)ccc1C
InChIInChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1
InChIKeyRAIDHOLJIAWOMY-DKQGWWAXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
astrogorgiadiol B (CHEBI:187939) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3aS,4S,5R,7aR)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-5-ol
Manual XrefsDatabases
4446816ChemSpider
LMST03020242LIPID MAPS