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CHEBI:209639 - Bisvertinolone

ChEBI IDCHEBI:209639
ChEBI NameBisvertinolone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O9
Net Charge0
Average Mass512.555
Monoisotopic Mass512.20463
SMILESC/C=C/C=C/C(O)=C1/C(=O)[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/C28H32O9/c1-7-9-11-13-16(29)18-20(31)15(3)22(32)26(5)21(18)25(4)23(33)19(17(30)14-12-10-8-2)24(34)27(6,35)28(25,36)37-26/h7-14,21,29-31,35-36H,1-6H3/b9-7+,10-8+,13-11+,14-12+,18-16+,19-17-/t21-,25-,26+,27+,28+/m1/s1
InChIKeyNWYGQCMFWAOARK-TZCGFCPBSA-N
Species of MetaboliteComponentSourceComments
Sarocladium strictum (ncbitaxon:5046) - DOI (10.1016/s0040-4039(00)77175-9)
ChEBI Ontology
Outgoing Relation(s)
Bisvertinolone (CHEBI:209639) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2Z,4S,4aS,5aS,9Z,9aR,9bR)-4,4a,8-trihydroxy-2,9-bis[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-4,5a,7,9b-tetramethyl-9aH-dibenzouran-1,3,6-trione
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