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CHEBI:207285 - Cardinalin-3

ChEBI IDCHEBI:207285
ChEBI NameCardinalin-3
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SubmitterMetaboLights
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FormulaC32H30O10
Net Charge0
Average Mass574.582
Monoisotopic Mass574.18390
SMILESCOc1cc2c(c(O)c1-c1c(OC)cc3c(c1O)C(=O)C1=C(C[C@H](C)O[C@@H]1C)C3=O)C(=O)C1=C(C[C@H](C)O[C@@H]1C)C2=O
InChIInChI=1S/C32H30O10/c1-11-7-15-21(13(3)41-11)29(35)23-17(27(15)33)9-19(39-5)25(31(23)37)26-20(40-6)10-18-24(32(26)38)30(36)22-14(4)42-12(2)8-16(22)28(18)34/h9-14,37-38H,7-8H2,1-6H3/t11-,12-,13+,14+/m0/s1
InChIKeyNWOHVVUZLAHFIK-IGQOVBAYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cardinalin-3 (CHEBI:207285) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(1R,3S)-9-hydroxy-8-[(1R,3S)-9-hydroxy-7-methoxy-1,3-dimethyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
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