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

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

Chemical Formula:

C₄₁H₄₅O₂₂

Molecular Weight:

889.793 Daltons

Monoisotopic Mass:

889.2402481306999 Daltons

SMILES:

C(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/C41H44O22/c42-13-27-31(50)33(52)36(55)40(61-27)59-25-11-19(44)10-24-20(25)12-26(37(58-24)17-4-7-21(45)22(46)9-17)60-41-38(63-39-35(54)30(49)23(47)14-57-39)34(53)32(51)28(62-41)15-56-29(48)8-3-16-1-5-18(43)6-2-16/h1-12,23,27-28,30-36,38-42,47,49-55H,13-15H2,(H3-,43,44,45,46,48)/p+1/t23-,27-,28-,30+,31-,32-,33+,34+,35-,36-,38-,39+,40-,41-/m1/s1

InChIKey:

JSYDBTWJIIAZPU-NEVABJEQSA-O

Synonyms

arabidopsis anthocyanin A3

Databases

MetaCyc: CPD-16537

PubChem (CID): 6602295 145865157

MetaNetX: MNXM23458