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CHEBI:225164 - Torulosic acid

Default Structure
ChEBI IDCHEBI:225164
ChEBI NameTorulosic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O3
Net Charge0
Average Mass386.576
Monoisotopic Mass386.28210
SMILESCC(C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
InChIInChI=1S/C25H38O3/c1-15(21(27)28)16-9-13-25(6)18-7-8-19-22(2,3)20(26)11-12-23(19,4)17(18)10-14-24(16,25)5/h15-16,19H,7-14H2,1-6H3,(H,27,28)/t15?,16-,19?,23-,24-,25+/m1/s1
InChIKeyUECXJQGVBNBOBM-LNJNUCEDSA-N
Species of MetaboliteComponentSourceComments
Fuscoporia torulosa (ncbitaxon:167372) - DOI (10.1016/s0031-9422(00)86889-2)
ChEBI Ontology
Outgoing Relation(s)
Torulosic acid (CHEBI:225164) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
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78439757ChemSpider