4,21-dehydrogeissoschizine

Chemical Formula:

C₂₁H₂₃N₂O₃

Molecular Weight:

351.424 Daltons

Monoisotopic Mass:

351.170867615 Daltons

SMILES:

CC=C4([CH](C(C(OC)=O)=CO)C[CH]3([N+](CCC2(C1(=C(C=CC=C1)NC=23)))=C4))

InChI:

1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/p+1/b13-3-/t16-,19-/m0/s1

InChIKey:

CUHFIPBCFIPFJM-JXSBNBLESA-O

Databases

MetaCyc: 421-DEHYDROGEISSOSCHIZINE

PubChem (CID): 5280619

ChEBI: 17294

KEGG: C03677

RefMet: 4,21-Dehydrogeissoschizine

Seed: cpd02308

MetaNetX: MNXM2080