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CHEBI:205115 - Erinarol E

ChEBI IDCHEBI:205115
ChEBI NameErinarol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H80O4
Net Charge0
Average Mass697.142
Monoisotopic Mass696.60566
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[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/C46H80O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-43(48)50-37-28-31-45(7)41-29-30-44(6)39(36(5)25-24-35(4)34(2)3)26-27-40(44)38(41)32-42(47)46(45,49)33-37/h24-25,32,34-37,39-42,47,49H,8-23,26-31,33H2,1-7H3/b25-24+/t35-,36+,37-,39+,40-,41-,42-,44+,45+,46-/m0/s1
InChIKeyACLTWGZKVIQUPD-XHAHBFBPSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (25437304)
ChEBI Ontology
Outgoing Relation(s)
Erinarol E (CHEBI:205115) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3S,5R,6S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5,6-dihydroxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] octadecanoate
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58133365ChemSpider