raucaffricine
Chemical Formula:
C27H32N2O8
Molecular Weight:
512.558 Daltons
Monoisotopic Mass:
512.2158660144 Daltons
SMILES:
CC=C5([CH]3(C6(C(OC(=O)C)C27(C1(C(=CC=CC=1)N=C2[CH](C3)N(C(OC4(OC(CO)C(O)C(O)C(O)4))5)[CH]6C7)))))
InChI:
1S/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16+,17+,18-,19?,20-,21+,22-,24-,25-,26+,27?/m1/s1
InChIKey:
Databases
MetaCyc:
RAUCAFFRICINE
PubChem (CID):
91820475
ChEBI:
17400
KEGG:
C02074
CAS:
31282-07-2
Seed:
cpd01406
MetaNetX:
MNXM2425