CHEBI:217540 - Stereinone E

ChEBI IDCHEBI:217540
ChEBI NameStereinone E
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SubmitterMetaboLights
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FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@]3(O)CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC(=O)[C@]12C
InChIInChI=1S/C30H46O3/c1-19(2)10-9-11-20(3)21-12-16-28(7)29(21,8)25(32)18-23-27(6)15-14-24(31)26(4,5)22(27)13-17-30(23,28)33/h10,18,20-22,33H,9,11-17H2,1-8H3/t20-,21-,22+,27+,28-,29+,30+/m1/s1
InChIKeyJIXHFAPZVZWJCW-KEELAESXSA-N
Species of MetaboliteComponentSourceComments
Stereumspecies (ncbitaxon:1849817) - PubMed (29197540)
ChEBI Ontology
Outgoing Relation(s)
Stereinone E (CHEBI:217540) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,8R,10S,13R,14R,17R)-8-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,5,6,7,15,16,17-octahydrocyclopenta[a]phenanthrene-3,12-dione