CHEBI:200780 - Inonotusol G

ChEBI IDCHEBI:200780
ChEBI NameInonotusol G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILESC=C(C)C(=O)CC(O)C(C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C30H48O3/c1-18(2)23(31)17-24(32)19(3)20-11-15-30(8)22-9-10-25-27(4,5)26(33)13-14-28(25,6)21(22)12-16-29(20,30)7/h19-20,24-26,32-33H,1,9-17H2,2-8H3/t19?,20-,24?,25+,26+,28-,29-,30+/m1/s1
InChIKeyNRZPHWXZFDFOQN-UEYCSXIMSA-N
Species of MetaboliteComponentSourceComments
Inonotus obliquus (ncbitaxon:167356) - PubMed (24359303)
ChEBI Ontology
Outgoing Relation(s)
Inonotusol G (CHEBI:200780) is a triterpenoid (CHEBI:36615)
IUPAC Name 
5-hydroxy-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-1-en-3-one
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78440835ChemSpider