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CHEBI:213821 - Asperergoster A

ChEBI IDCHEBI:213821
ChEBI NameAsperergoster A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O4
Net Charge0
Average Mass440.624
Monoisotopic Mass440.29266
SMILESC[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1C[C@H](O)C2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C
InChIInChI=1S/C28H40O4/c1-16(7-8-17(2)26(3,4)32)21-14-23(30)25-20-10-9-18-13-19(29)11-12-27(18,5)22(20)15-24(31)28(21,25)6/h7-10,13,16-17,21-24,30-32H,11-12,14-15H2,1-6H3/b8-7+/t16-,17+,21-,22+,23+,24-,27+,28+/m1/s1
InChIKeyRDZXYBLXIRJYJG-LSJGDYQFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (32151636)
ChEBI Ontology
Outgoing Relation(s)
Asperergoster A (CHEBI:213821) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(9R,10R,12R,13R,15S,17R)-12,15-dihydroxy-17-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one