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CHEBI:218526 - Aspersteroid A

ChEBI IDCHEBI:218526
ChEBI NameAspersteroid A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O4
Net Charge0
Average Mass436.592
Monoisotopic Mass436.26136
SMILESCC(/C=C/[C@@H](C)[C@H]1CCC2=C3C(=O)C=C4C(=O)C=CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C(=O)O
InChIInChI=1S/C28H36O4/c1-16(18(3)26(31)32)8-9-17(2)19-10-11-20-25-21(12-14-28(19,20)5)27(4)13-6-7-23(29)22(27)15-24(25)30/h6-9,15-19,21H,10-14H2,1-5H3,(H,31,32)/b9-8+/t16?,17-,18?,19-,21+,27-,28-/m1/s1
InChIKeyLENSREMNGPQVHG-UZDJOFILSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - DOI (10.1177/1934578X1801300807)
ChEBI Ontology
Outgoing Relation(s)
Aspersteroid A (CHEBI:218526) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(E,6R)-6-[(9R,10R,13R,17R)-10,13-dimethyl-4,7-dioxo-9,11,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylhept-4-enoic acid
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