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CHEBI:228982 - 28-Acetoxy-15alpha-hydroxymansumbinone

ChEBI IDCHEBI:228982
ChEBI Name28-Acetoxy-15alpha-hydroxymansumbinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O4
Net Charge0
Average Mass388.548
Monoisotopic Mass388.26136
SMILES[H][C@]12CC[C@]3([H])C=C[C@H](O)[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CCC(=O)[C@@]1(C)COC(C)=O
InChIInChI=1S/C24H36O4/c1-15(25)28-14-22(3)17-10-13-23(4)18(21(17,2)12-11-19(22)26)8-6-16-7-9-20(27)24(16,23)5/h7,9,16-18,20,27H,6,8,10-14H2,1-5H3/t16-,17-,18-,20+,21+,22+,23-,24+/m1/s1
InChIKeyDLHMIGHUNOKCMU-XRMRWFDOSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
28-Acetoxy-15alpha-hydroxymansumbinone (CHEBI:228982) is a oxo steroid (CHEBI:35789)
IUPAC Name 
[(4R,5R,8R,9R,10R,13R,14R,15S)-15-hydroxy-4,8,10,14-tetramethyl-3-oxo-1,2,5,6,7,9,11,12,13,15-decahydrocyclopenta[a]phenanthren-4-yl]methyl acetate
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