desmethylanthrotainin
Chemical Formula:
C19H14NO9
Molecular Weight:
400.321 Daltons
Monoisotopic Mass:
401.0746810856 Daltons
SMILES:
C(=O)(N)C1(=C([O-])CC2(O)(C(O)(C1=O)C(=O)C4(C(C2)=CC3(C(=C(O)C=C(O)C=3)C(O)=4))))
InChI:
1S/C19H15NO9/c20-17(27)13-10(23)5-18(28)4-7-1-6-2-8(21)3-9(22)11(6)14(24)12(7)15(25)19(18,29)16(13)26/h1-3,21-24,28-29H,4-5H2,(H2,20,27)/p-1/t18-,19+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-17873
PubChem (CID):
91820097
MetaNetX:
MNXM148215