betanidin quinone
Chemical Formula:
C18H12N2O8
Molecular Weight:
384.301 Daltons
Monoisotopic Mass:
387.0828404687 Daltons
SMILES:
C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)
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,(H3,23,24,25,26,27,28)/p-2/t11-,13-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-8890
ChEBI:
140727
PubChem (CID):
25246300
Seed:
cpd25482
MetaNetX:
MNXM16347