CHEBI:207285 - Cardinalin-3

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cardinalin-3
ChEBI ID CHEBI:207285
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H30O10
Net Charge 0
Average Mass 574.582
Monoisotopic Mass 574.18390
InChI InChI=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
InChIKey NWOHVVUZLAHFIK-IGQOVBAYSA-N
SMILES O=C1C2=C(O)C(C3=C(O)C=4C(=O)C5=C(C[C@H](C)O[C@@H]5C)C(C4C=C3OC)=O)=C(OC)C=C2C(=O)C6=C1[C@H](O[C@H](C6)C)C
ChEBI Ontology
Outgoing 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
Manual Xref Database
8968550 ChemSpider
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