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CHEBI:209559 - Ustilanthracin A

ChEBI IDCHEBI:209559
ChEBI NameUstilanthracin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H20O9
Net Charge0
Average Mass464.426
Monoisotopic Mass464.11073
SMILESC/C=C/C=C/C(=O)c1cc2c(c(C)c1O)C(=O)c1cc3c(c(O)c1C2=O)O[C@@](C)(CC(=O)O)O3
InChIInChI=1S/C25H20O9/c1-4-5-6-7-15(26)12-8-13-18(11(2)20(12)29)21(30)14-9-16-24(23(32)19(14)22(13)31)34-25(3,33-16)10-17(27)28/h4-9,29,32H,10H2,1-3H3,(H,27,28)/b5-4+,7-6+/t25-/m0/s1
InChIKeyYVOQJGSSXKAJIL-ADJWHJFPSA-N
Species of MetaboliteComponentSourceComments
Ustilaginoidea virens (ncbitaxon:1159556) - PubMed (30785293)
ChEBI Ontology
Outgoing Relation(s)
Ustilanthracin A (CHEBI:209559) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
2-[(2S)-8-[(2E,4E)-hexa-2,4-dienoyl]-7,11-dihydroxy-2,6-dimethyl-5,10-dioxonaphtho[3,2-][1,3]benzodioxol-2-yl]acetic acid