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CHEBI:140727 - betanidin quinone(2-)

Default Structure
ChEBI IDCHEBI:140727
ChEBI Namebetanidin quinone(2-)
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC18H12N2O8
Net Charge-2
Average Mass384.300
Monoisotopic Mass384.06046
SMILESO=C([O-])C1=[NH+][C@H](C(=O)[O-])CC(/C=C/N2C3=CC(=O)C(=O)C=C3C[C@H]2C(=O)[O-])=C1
InChIInChI=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
InChIKeyWAVPHGICHZOYMQ-WODDMCJRSA-L
ChEBI Ontology
Outgoing Relation(s)
betanidin quinone(2-) (CHEBI:140727) is a organic molecular entity (CHEBI:50860)