deacetylipecoside

Chemical Formula:

C₂₅H₃₄NO₁₁

Molecular Weight:

524.544 Daltons

Monoisotopic Mass:

524.2131859397 Daltons

SMILES:

C=CC3(C(OC=C(C(=O)OC)C(C[CH]2([N+]CCC1(=CC(O)=C(O)C=C12)))3)OC4(OC(CO)C(O)C(O)C(O)4))

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-MDXCLUIBSA-O

Synonyms

N-deacetylipecoside
(1R)-deacetylipecoside

Databases

MetaCyc: DEACETYLIPECOSIDE

ChEBI: 58379

PubChem (CID): 25200454

KEGG: C07307

Seed: cpd04514

MetaNetX: MNXM3968