7-O-methylvitexin 2''-O-β-L-rhamnoside

Chemical Formula:

C₂₈H₃₂O₁₄

Molecular Weight:

592.552 Daltons

Monoisotopic Mass:

592.1792057366 Daltons

SMILES:

CC1(OC(C(C(C(O)1)O)O)OC2(C(C(O)C(CO)OC2C5(C(OC)=CC(O)=C4(C(=O)C=C(C3(C=CC(O)=CC=3))OC4=5)))O))

InChI:

1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-16(38-2)8-14(32)18-13(31)7-15(40-25(18)19)11-3-5-12(30)6-4-11/h3-8,10,17,20-24,26-30,32-37H,9H2,1-2H3/t10-,17+,20-,21+,22+,23-,24+,26-,27+,28+/m0/s1

InChIKey:

HFUYHHROXLKXRR-FKTIEMRLSA-N

Databases

MetaCyc: 7-O-METHYLVITEXIN-2-O-B-L-RHAMNOSIDE

ChEBI: 82684

PubChem (CID): 86289613

MetaboLights: MTBLC31143

HMDB: HMDB37417

KEGG: C12629

Seed: cpd09260

MetaNetX: MNXM6136