Chemical Component Summary

Name(2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
Identifiers(2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[5,4-f]quinoline-2,7,9-tricarboxylic acid
FormulaC14 H14 N2 O8
Molecular Weight338.27
TypeNON-POLYMER
Isomeric SMILESC1c2c(c3c(c(c2O)O)N[C@H](C[C@H]3C(=O)O)C(=O)O)N[C@@H]1C(=O)O
InChIInChI=1S/C14H14N2O8/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/h3,5-6,15-18H,1-2H2,(H,19,20)(H,21,22)(H,23,24)/t3-,5-,6+/m1/s1
InChIKeyAEQJGIAJKMGQCZ-PUFIMZNGSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count3
Bond Count40
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 45281230