cyanidin 3-O-[2"-O-(2"'-O-(sinapoyl) xylosyl) 6"-O-(p-coumaroyl) glucoside] 5-O-[6""-O-(malonyl) glucoside
O-(2"'-O-(sinapoyl) xylosyl) 6"-O-(p-coumaroyl) glucoside] 5-O-[6""-O-(malonyl) glucoside" height="280 px">
Chemical Formula:
C55H57O29
Molecular Weight:
1182.038 Daltons
Monoisotopic Mass:
1181.2985508706001 Daltons
SMILES:
COC1(=CC(=CC(OC)=C(O)1)C=CC(=O)OC8(C(OC2(C(OC(C(O)C(O)2)COC(C=CC3(C=CC(O)=CC=3))=O)OC6(C(=[O+]C5(=C(C(OC4(OC(COC(=O)CC(=O)O)C(O)C(O)C(O)4))=CC(O)=C5)C=6))C7(=CC(O)=C(O)C=C7))))OCC(O)C(O)8))
InChI:
1S/C55H56O29/c1-73-34-13-24(14-35(74-2)44(34)67)6-12-41(64)83-51-43(66)31(60)20-77-54(51)84-52-48(71)46(69)38(21-75-40(63)11-5-23-3-8-26(56)9-4-23)82-55(52)80-36-18-28-32(78-50(36)25-7-10-29(58)30(59)15-25)16-27(57)17-33(28)79-53-49(72)47(70)45(68)37(81-53)22-76-42(65)19-39(61)62/h3-18,31,37-38,43,45-49,51-55,60,66,68-72H,19-22H2,1-2H3,(H5-,56,57,58,59,61,62,63,64,67)/p+1/t31-,37-,38-,43+,45-,46-,47+,48+,49-,51-,52-,53-,54+,55-/m1/s1
InChIKey:
Synonyms
- arabidopsis anthocyanin A9
Databases
MetaCyc:
CPD-16539
MetaNetX:
MNXM24738