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CHEBI:231465 - (21S)-21-acetyl-1-hydroxy-apo-melianone

ChEBI IDCHEBI:231465
ChEBI Name(21S)-21-acetyl-1-hydroxy-apo-melianone
Stars
ASCII Name(21S)-21-acetyl-1-hydroxy-apo-melianone
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H48O7
Net Charge0
Average Mass544.729
Monoisotopic Mass544.34000
SMILES[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)C(=O)CC(O)[C@]21C
InChIInChI=1S/C32H48O7/c1-16(33)37-27-17(13-19(38-27)26-29(4,5)39-26)18-9-10-20-30(18,6)12-11-21-31(20,7)24(35)14-22-28(2,3)23(34)15-25(36)32(21,22)8/h10,17-19,21-22,24-27,35-36H,9,11-15H2,1-8H3/t17-,18-,19+,21-,22-,24+,25?,26-,27+,30-,31-,32+/m0/s1
InChIKeyKDBMZUSEVIPVDJ-IOFXMLJZSA-N
ChEBI Ontology
Outgoing Relation(s)
(21S)-21-acetyl-1-hydroxy-apo-melianone (CHEBI:231465) is a acetate ester (CHEBI:47622)
(21S)-21-acetyl-1-hydroxy-apo-melianone (CHEBI:231465) is a epoxide (CHEBI:32955)
(21S)-21-acetyl-1-hydroxy-apo-melianone (CHEBI:231465) is a organic heterohexacyclic compound (CHEBI:51914)
(21S)-21-acetyl-1-hydroxy-apo-melianone (CHEBI:231465) is a tetracyclic triterpenoid (CHEBI:26893)
UniProt Name  Source
(21S)-21-acetyl-1-hydroxy-apo-melianoneUniProt
Citations