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CHEBI:80531 - 3-Epiecdysone

ChEBI IDCHEBI:80531
ChEBI Name3-Epiecdysone
Stars
DownloadsMolfile
FormulaC27H44O6
Net Charge0
Average Mass464.643
Monoisotopic Mass464.31379
SMILES[H][C@@]12C[C@H](O)[C@@H](O)C[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)CC[C@@]3(O)C1=CC2=O
InChIInChI=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
InChIKeyUPEZCKBFRMILAV-LVRQXCCVSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Epiecdysone (CHEBI:80531) is a steroid (CHEBI:35341)
Manual XrefsDatabases
C16496KEGG COMPOUND