isovitexin 7-O-glucoside

Chemical Formula:

C₂₇H₃₀O₁₅

Molecular Weight:

594.525 Daltons

Monoisotopic Mass:

594.1584702945 Daltons

SMILES:

C1(C=C(O)C=CC=1C3(=CC(=O)C4(=C(O)C(=C(OC2(OC(CO)C(O)C(O)C(O)2))C=C(O3)4)C5(OC(CO)C(O)C(O)C(O)5))))

InChI:

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

InChIKey:

HGUVPEBGCAVWID-KETMJRJWSA-N

Synonyms

isovitexin-7-O-β-D-glucopyranoside
saponarin

Databases

MetaCyc: CPD-10347

PubChem (CID): 441381

MetaboLights: MTBLC75439

ChEBI: 75439

ChemSpider: 3826742

KEGG: C08064

MetaNetX: MNXM11928