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CHEBI:197997 - 23-hydroxyganoderic acid S

Default Structure
ChEBI IDCHEBI:197997
ChEBI Name23-hydroxyganoderic acid S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILESCC(=CC(O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O
InChIInChI=1S/C30H46O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,11,17-18,20-21,24-25,31-32H,9-10,12-16H2,1-7H3,(H,33,34)/t18-,20?,21-,24?,25?,28-,29-,30+/m1/s1
InChIKeyBHPUPTSWPKUFML-SKAJUWEPSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (20384295)
ChEBI Ontology
Outgoing Relation(s)
23-hydroxyganoderic acid S (CHEBI:197997) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6R)-4-hydroxy-6-[(10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid