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CHEBI:212071 - Erinarol F

ChEBI IDCHEBI:212071
ChEBI NameErinarol F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H76O5
Net Charge0
Average Mass709.109
Monoisotopic Mass708.56928
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@]3(O)CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4C3=C[C@H](O)[C@@]2(O)C1
InChIInChI=1S/C46H76O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42(48)51-37-28-29-44(7)45(49)31-30-43(6)38(36(5)25-24-35(4)34(2)3)26-27-39(43)40(45)32-41(47)46(44,50)33-37/h12-13,15-16,24-25,32,34-39,41,47,49-50H,8-11,14,17-23,26-31,33H2,1-7H3/b13-12-,16-15-,25-24+/t35-,36+,37-,38+,39-,41-,43+,44+,45+,46-/m0/s1
InChIKeyPNSISTCNWNAKTQ-AIDPMJBASA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (25437304)
ChEBI Ontology
Outgoing Relation(s)
Erinarol F (CHEBI:212071) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3S,5R,6S,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5,6,9-trihydroxy-10,13-dimethyl-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
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58132276ChemSpider