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CHEBI:200973 - Erinarol A

ChEBI IDCHEBI:200973
ChEBI NameErinarol A
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SubmitterMetaboLights
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FormulaC46H76O4
Net Charge0
Average Mass693.110
Monoisotopic Mass692.57436
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1C2=C3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@@]23O[C@@H]13
InChIInChI=1S/C46H76O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-42-41-38-27-26-37(35(5)25-24-34(4)33(2)3)44(38,6)30-29-39(41)45(7)31-28-36(47)32-46(45)43(42)50-46/h15-16,24-25,33-37,39,42-43,47H,8-14,17-23,26-32H2,1-7H3/b16-15-,25-24+/t34-,35+,36-,37+,39-,42-,43-,44+,45+,46-/m0/s1
InChIKeyRUMWTSNHGVWHSU-HVXPJFCMSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (25437304)
ChEBI Ontology
Outgoing Relation(s)
Erinarol A (CHEBI:200973) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(1S,2R,5S,7R,9S,10S,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-11-en-10-yl] (Z)-octadec-9-enoate
Manual XrefsDatabases
58133361ChemSpider