cyanidin 3-O-[2"-O-(xylosyl)-6"-O-(p-coumaroyl) glucoside] 5-O-malonylglucoside

O-(xylosyl)-6"-O-(p-coumaroyl) glucoside] 5-O-malonylglucoside" height="280 px">

Chemical Formula:

C₄₄H₄₇O₂₅

Molecular Weight:

975.84 Daltons

Monoisotopic Mass:

975.2406420612 Daltons

SMILES:

C(OC(=O)CC(=O)O)C7(C(O)C(O)C(O)C(OC6(=C4(C([O+]=C(C(OC2(OC(C(O)C(O)C(OC1(OCC(O)C(O)C(O)1))2)COC(C=CC3(C=CC(O)=CC=3))=O))=C4)C5(=CC(O)=C(O)C=C5))=CC(O)=C6)))O7)

InChI:

1S/C44H46O25/c45-19-5-1-17(2-6-19)3-8-31(52)61-15-29-35(56)37(58)41(69-42-38(59)33(54)24(49)14-63-42)44(68-29)66-27-12-21-25(64-40(27)18-4-7-22(47)23(48)9-18)10-20(46)11-26(21)65-43-39(60)36(57)34(55)28(67-43)16-62-32(53)13-30(50)51/h1-12,24,28-29,33-39,41-44,49,54-60H,13-16H2,(H4-,45,46,47,48,50,51,52)/p+1/t24-,28-,29-,33+,34-,35-,36+,37+,38-,39-,41-,42+,43-,44-/m1/s1

InChIKey:

JKGXHHXZZLNEGD-XINMMMEUSA-O

Synonyms

arabidopsis anthocyanin A5

Databases

MetaCyc: CPD-16538

PubChem (CID): 90658134 145865058

MetaNetX: MNXM26990