CHEBI:217552 - Stereinone G

ChEBI IDCHEBI:217552
ChEBI NameStereinone G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILESC=C(C)C(O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C30H46O3/c1-18(2)23(31)11-9-19(3)20-13-16-29(7)21-10-12-24-27(4,5)25(32)14-15-28(24,6)22(21)17-26(33)30(20,29)8/h19-20,23-24,31H,1,9-17H2,2-8H3/t19-,20-,23?,24+,28-,29+,30+/m1/s1
InChIKeyYOCKFMNXVHNRLA-XDLOINAOSA-N
Species of MetaboliteComponentSourceComments
Stereumspecies (ncbitaxon:1849817) - PubMed (29197540)
ChEBI Ontology
Outgoing Relation(s)
Stereinone G (CHEBI:217552) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,10S,13R,14S,17R)-17-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,7,11,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,12-dione