CHEBI:140727 - betanidin quinone(2-)

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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 betanidin quinone(2-)
ChEBI ID CHEBI:140727
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C18H12N2O8
Net Charge -2
Average Mass 384.297
Monoisotopic Mass 384.06046
InChI InChI=1S/C18H14N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/p-2/b2-1+/t11-,13-/m0/s1
InChIKey WAVPHGICHZOYMQ-WODDMCJRSA-L
SMILES [O-]C(=O)[C@@H]1CC2=CC(=O)C(=O)C=C2N1/C=C/C3=CC(=[NH+][C@@H](C3)C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing betanidin quinone(2-) (CHEBI:140727) is a organic molecular entity (CHEBI:50860)