CHEBI:80531 - 3-Epiecdysone

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ChEBI Name 3-Epiecdysone
ChEBI ID CHEBI:80531
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H44O6
Net Charge 0
Average Mass 464.63470
Monoisotopic Mass 464.31379
InChI InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22-,23-,25+,26+,27+/m0/s1
InChIKey UPEZCKBFRMILAV-LVRQXCCVSA-N
SMILES C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 3-Epiecdysone (CHEBI:80531) is a steroid (CHEBI:35341)
Manual Xref Database
C16496 KEGG COMPOUND
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