gomphrenin I
Chemical Formula:
C24H24N2O13
Molecular Weight:
548.459 Daltons
Monoisotopic Mass:
551.1513139644001 Daltons
SMILES:
C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=[N+]2(C(CC3(C=C(C(=CC2=3)OC4(C(C(C(C(O4)CO)O)O)O))O))C([O-])=O)
InChI:
1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/p-2/t12-,14-,17+,18+,19-,20+,24+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-8655
PubChem (CID):
90658632
KEGG:
C08544
Seed:
cpd05451
MetaNetX:
MNXM8687
ChEBI:
5518