11-O-demethyl-17-O-deacetylvindoline

Chemical Formula:

C₂₂H₂₉N₂O₅

Molecular Weight:

401.481 Daltons

Monoisotopic Mass:

401.2076470518 Daltons

SMILES:

CCC14(C5([N+](CC=C1)CCC2(C(N(C3(=C2C=CC(O)=C3))C)C(O)(C(OC)=O)C(O)4)5))

InChI:

1S/C22H28N2O5/c1-4-20-8-5-10-24-11-9-21(16(20)24)14-7-6-13(25)12-15(14)23(2)17(21)22(28,18(20)26)19(27)29-3/h5-8,12,16-18,25-26,28H,4,9-11H2,1-3H3/p+1/t16-,17+,18+,20+,21+,22-/m0/s1

InChIKey:

MNCVVTFLNVITRD-RLFCDOPRSA-O

Databases

MetaCyc: 11-O-DEMETHYL-17-O-DEACETYLVINDOLINE

ChEBI: 57657

PubChem (CID): 25203244

KEGG: C04318

Seed: cpd02650

MetaNetX: MNXM4248