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CHEBI:212542 - JBIR-59

ChEBI IDCHEBI:212542
ChEBI NameJBIR-59
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O7
Net Charge0
Average Mass416.470
Monoisotopic Mass416.18350
SMILESC/C=C/C=C/C(O)=C1/C(O)=C(C)C(=O)[C@@]2(C)O[C@]3(O)[C@@](C)(C(=O)C=C(C)[C@@]3(C)O)[C@@H]12
InChIInChI=1S/C23H28O7/c1-7-8-9-10-14(24)16-17(26)13(3)19(27)21(5)18(16)20(4)15(25)11-12(2)22(6,28)23(20,29)30-21/h7-11,18,24,26,28-29H,1-6H3/b8-7+,10-9+,16-14+/t18-,20+,21+,22-,23-/m1/s1
InChIKeyUMHDERWNUIJLJA-YJYGGFIMSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (20203701)
ChEBI Ontology
Outgoing Relation(s)
JBIR-59 (CHEBI:212542) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R,4aR,5aS,9Z,9aR,9bR)-4,4a,8-trihydroxy-9-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-3,4,5a,7,9b-pentamethyl-9aH-dibenzouran-1,6-dione
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78441928ChemSpider