pyrroloquinoline quinol

Chemical Formula:

C₁₄H₅N₂O₈

Molecular Weight:

329.202 Daltons

Monoisotopic Mass:

332.028065244 Daltons

SMILES:

C2(C(C([O-])=O)=C1(C3(NC(C(=O)[O-])=CC(C(=C(C1=NC=2C(=O)[O-])O)O)=3)))

InChI:

1S/C14H8N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15,17-18H,(H,19,20)(H,21,22)(H,23,24)/p-3

InChIKey:

QZMUBZJJJKIXKV-UHFFFAOYSA-K

Synonyms

Databases

MetaCyc: CPD-15119

ChEBI: 58459 18356

KEGG: C01359

PubChem (CID): 25244194 135956777

Seed: cpd00986

MetaNetX: MNXM765

CAS: 79127-57-4

PupChem (SID): 4562

3DMET: B00277

NIKKAJI: J264.250F