strictosidine aglycone
Chemical Formula:
C21H25N2O4
Molecular Weight:
369.439 Daltons
Monoisotopic Mass:
369.1814323013 Daltons
SMILES:
C=C[CH]4([CH](C[CH]3(C2(NC1(C=CC=CC=1C=2CC[N+]3))))C(C(=O)OC)=COC4O)
InChI:
1S/C21H24N2O4/c1-3-12-15(16(20(24)26-2)11-27-21(12)25)10-18-19-14(8-9-22-18)13-6-4-5-7-17(13)23-19/h3-7,11-12,15,18,21-23,25H,1,8-10H2,2H3/p+1/t12-,15+,18+,21-/m1/s1
InChIKey:
Databases
MetaCyc:
STRICTOSIDINE-AGLYCONE
ChEBI:
58012
PubChem (CID):
25201261
KEGG:
C03309
Seed:
cpd02108
MetaNetX:
MNXM3362