deacetylisoipecoside

Chemical Formula:

C₂₅H₃₄NO₁₁

Molecular Weight:

524.544 Daltons

Monoisotopic Mass:

524.2131859397 Daltons

SMILES:

C=C[CH]3(C(OC=C(C(=O)OC)[CH](C[CH]2([N+]CCC1(C=C(C(O)=CC=12)O)))3)OC4(C(O)C(C(O)C(CO)O4)O))

InChI:

1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/p+1/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1

InChIKey:

MTAVTRZTGFLKSC-ONGZBVEHSA-O

Synonyms

N-deacetylisoipecoside
(1S)-deacetylisoipecoside

Databases

MetaCyc: DEACETYLISOIPECOSIDE

ChEBI: 58091

PubChem (CID): 25201999

KEGG: C07304

Seed: cpd04512

MetaNetX: MNXM3253