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purpurquinone A

PropertiesImageOccurences in reactions
MNX_IDMNXM108341Image of MNXM108341
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC21H20O9
charge0
mass416.11073
referencechebi:69469
InChIKeyAWAFQUDYYMTSLY-QWOQCBQGSA-N
InChIInChI=1S/C21H20O9/c1-4-5-13-7-11-8-15(24)20(3,18(26)21(11,28)19(27)29-13)30-17(25)16-10(2)6-12(22)9-14(16)23/h4-9,19,22-23,27-28H,1-3H3/b5-4+/t19-,20+,21+/m0/s1
SMILESC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)[C@@]2(O)[C@@H](O)O1
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:69469
chebi:69469
purpurquinone A
(1S,7R,8aS)-1,8a-dihydroxy-7-methyl-6,8-dioxo-3-[(1E)-prop-1-en-1-yl]-6,7,8,8a-tetrahydro-1H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate