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CHEBI:225866 - Asperfloroid

ChEBI IDCHEBI:225866
ChEBI NameAsperfloroid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O7
Net Charge0
Average Mass488.621
Monoisotopic Mass488.27740
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)CC1=CC4=O
InChIInChI=1S/C28H40O7/c1-12(2)13(3)22(31)24-14(4)19-18(35-24)11-28(34)20-17(30)10-15-9-16(29)7-8-26(15,5)21(20)23(32)25(33)27(19,28)6/h10,12-14,16,18-19,22,24-25,29,31,33-34H,7-9,11H2,1-6H3/t13-,14+,16+,18+,19+,22-,24-,25+,26+,27+,28+/m1/s1
InChIKeyKAWJFORYVWDFHD-DDKJNFERSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30557511)
ChEBI Ontology
Outgoing Relation(s)
Asperfloroid (CHEBI:225866) is a 11-oxo steroid (CHEBI:47787)
IUPAC Name 
(2R,4S,6R,7S,8R,9S,10R,13S,16S)-2,10,16-trihydroxy-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),18-diene-11,20-dione
Manual XrefsDatabases
71115935ChemSpider