vindoline
Chemical Formula:
C25H33N2O6
Molecular Weight:
457.545 Daltons
Monoisotopic Mass:
457.2338618023 Daltons
SMILES:
CCC25(C=CC[N+]4(CCC1(C3(C=CC(OC)=CC(N(C)[CH]1C(C(OC)=O)(O)C(OC(=O)C)2)=3))[CH]45))
InChI:
1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/p+1/t19-,20+,21+,23+,24+,25-/m0/s1
InChIKey:
Databases
MetaCyc:
VINDOLINE
ChEBI:
57753
PubChem (CID):
40473139
KEGG:
C01626
NCI:
628056
CAS:
2182-14-1
Seed:
cpd01143
MetaNetX:
MNXM2874