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CHEBI:208430 - Asperflosterol

ChEBI IDCHEBI:208430
ChEBI NameAsperflosterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O7
Net Charge0
Average Mass490.637
Monoisotopic Mass490.29305
SMILESCC(C)[C@@H](C)[C@@H](O)[C@@H]1O[C@H]2C[C@]3(O)C4=C(C(=O)[C@H](O)[C@]3(C)[C@H]2[C@@H]1C)[C@@]1(C)CC[C@H](O)C[C@@]1(O)C=C4
InChIInChI=1S/C28H42O7/c1-13(2)14(3)21(30)23-15(4)19-18(35-23)12-28(34)17-8-10-27(33)11-16(29)7-9-25(27,5)20(17)22(31)24(32)26(19,28)6/h8,10,13-16,18-19,21,23-24,29-30,32-34H,7,9,11-12H2,1-6H3/t14-,15+,16+,18+,19+,21-,23-,24+,25-,26+,27+,28+/m1/s1
InChIKeyWKOMIUKNOVPFBX-IXZYDXAXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30512956)
ChEBI Ontology
Outgoing Relation(s)
Asperflosterol (CHEBI:208430) is a 11-oxo steroid (CHEBI:47787)
IUPAC Name 
(2S,4S,6R,7S,8R,9S,10R,13R,16S,18R)-2,10,16,18-tetrahydroxy-6-[(1R,2R)-1-hydroxy-2,3-dimethylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(12),19-dien-11-one
Manual XrefsDatabases
71048576ChemSpider