1,2-dihydrovomilenine
Chemical Formula:
C21H24N2O3
Molecular Weight:
352.432 Daltons
Monoisotopic Mass:
352.1786926471 Daltons
SMILES:
CC=C4([CH]3(C5(C(OC(=O)C)C26(C1(C(=CC=CC=1)N[CH]2[CH](C3)N(C(O)4)[CH]5C6)))))
InChI:
1S/C21H24N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-20,22,25H,8-9H2,1-2H3/b11-3+/t12-,15+,16+,17?,18+,19-,20-,21?/m1/s1
InChIKey:
Databases
MetaCyc:
12-DIHYDROVOMILENINE
PubChem (CID):
91820427
ChEBI:
17372
KEGG:
C11808
Seed:
cpd08612
MetaNetX:
MNXM2167