19E-geissoschizine

Chemical Formula:

C₂₁H₂₄N₂O₃

Molecular Weight:

352.432 Daltons

Monoisotopic Mass:

352.1786926471 Daltons

SMILES:

CC=C1(CN2(CCC3(C4(C=CC=CC(NC([CH](C[CH](C(=CO)C(OC)=O)1)2)=3)=4))))

InChI:

1S/C21H24N2O3/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/h3-7,12,16,19,22,24H,8-11H2,1-2H3/b13-3-,17-12-/t16-,19-/m0/s1

InChIKey:

WKWHYFHGTWZCLM-KGZWXYIYSA-N

Databases

MetaCyc: GEISSOSCHIZINE

RefMet: Geissoschizine

MetaboLights: MTBLC17037

ChemSpider: 4444131

PubChem (CID): 5280491 10948159

ChEBI: 17037

KEGG: C02151

CAS: 439-66-7

Seed: cpd01456

MetaNetX: MNXM3026