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CHEBI:214999 - Isobisvertinol

ChEBI IDCHEBI:214999
ChEBI NameIsobisvertinol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O8
Net Charge0
Average Mass498.572
Monoisotopic Mass498.22537
SMILESC/C=C/C=C/C(O)=C1\C[C@](C)(O)[C@]2(O)O[C@@]3(C)C(=O)C(C)=C(O)/C(=C(O)/C=C/C=C/C)[C@H]3[C@]2(C)C1=O
InChIInChI=1S/C28H34O8/c1-7-9-11-13-18(29)17-15-25(4,34)28(35)26(5,24(17)33)22-20(19(30)14-12-10-8-2)21(31)16(3)23(32)27(22,6)36-28/h7-14,22,29-31,34-35H,15H2,1-6H3/b9-7+,10-8+,13-11+,14-12+,18-17-,20-19+/t22-,25-,26+,27+,28-/m0/s1
InChIKeyAJYDWIULPHVWEI-QPOMHGLYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (17249778)
ChEBI Ontology
Outgoing Relation(s)
Isobisvertinol (CHEBI:214999) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2Z,4S,4aR,5aR,9Z,9aS,9bR)-4,4a,8-trihydroxy-2,9-bis[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-4,5a,7,9b-tetramethyl-3,9a-dihydrodibenzouran-1,6-dione
Manual XrefsDatabases
17262981ChemSpider