5-O-(indol-3-ylacetyl-myo-inositol) D-galactoside

Chemical Formula:

C₂₂H₂₉NO₁₂

Molecular Weight:

499.471 Daltons

Monoisotopic Mass:

499.16897540130003 Daltons

SMILES:

C(O)C1(C(O)C(O)C(C(O1)OC4(C(O)C(O)C(O)C(O)C(OC(=O)CC2(=CNC3(C=CC=CC2=3)))4))O)

InChI:

1S/C22H29NO12/c24-7-11-13(26)14(27)19(32)22(33-11)35-21-18(31)16(29)15(28)17(30)20(21)34-12(25)5-8-6-23-10-4-2-1-3-9(8)10/h1-4,6,11,13-24,26-32H,5,7H2/t11-,13+,14+,15-,16-,17-,18+,19-,20-,21-,22+/m1/s1

InChIKey:

CTIMKKNHIWVXHA-ICRLQBCGSA-N

Databases

MetaCyc: 5-O-INDOL-3-YLACETYL-MYO-ETCETERA

PubChem (CID): 126961081

ChEBI: 17391

ChemSpider: 389380

KEGG: C04695

Seed: cpd02859

MetaNetX: MNXM3874