isovitexin 2''-O-β-D-glucoside

Chemical Formula:

C₂₇H₂₉O₁₅

Molecular Weight:

593.517 Daltons

Monoisotopic Mass:

594.1584702945 Daltons

SMILES:

C1(C=C(O)C=CC=1C2(=CC(=O)C3(=C(O)C(=C([O-])C=C(O2)3)C5(OC(CO)C(O)C(O)C(OC4(OC(CO)C(O)C(O)C(O)4))5))))

InChI:

1S/C27H30O15/c28-7-15-20(34)23(37)26(42-27-24(38)22(36)19(33)16(8-29)41-27)25(40-15)18-12(32)6-14-17(21(18)35)11(31)5-13(39-14)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/p-1/t15-,16-,19-,20-,22+,23+,24-,25+,26-,27+/m1/s1

InChIKey:

RQTTXGQDIROLTQ-FASGCTRLSA-M

Databases

MetaCyc: ISOVITEXIN-2-O-B-D-GLUCOSIDE

MetaboLights: MTBLC17379

HMDB: HMDB29484

LIPID MAPS: LMPK12110217

ChEBI: 17379

PubChem (CID): 25202838

KEGG: C04199

Seed: cpd02579

MetaNetX: MNXM4627