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

O-(2"'-O-(sinapoyl) xylosyl) 6"-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-[6""-O-(malonyl) glucoside" height="280 px">

Chemical Formula:

C₆₁H₆₇O₃₄

Molecular Weight:

1344.18 Daltons

Monoisotopic Mass:

1343.3513743020999 Daltons

SMILES:

COC1(=CC(=CC(OC)=C(O)1)C=CC(=O)OC9(C(OC2(C(OC(C(O)C(O)2)COC(C=CC4(C=CC(OC3(C(O)C(O)C(O)C(CO)O3))=CC=4))=O)OC7(C(=[O+]C6(=C(C(OC5(OC(COC(=O)CC(=O)O)C(O)C(O)C(O)5))=CC(O)=C6)C=7))C8(=CC(O)=C(O)C=C8))))OCC(O)C(O)9))

InChI:

1S/C61H66O34/c1-82-35-13-25(14-36(83-2)46(35)73)6-12-43(70)94-56-45(72)32(66)21-86-60(56)95-57-52(79)49(76)40(22-84-42(69)11-5-24-3-8-28(9-4-24)87-58-53(80)50(77)47(74)38(20-62)91-58)93-61(57)90-37-18-29-33(88-55(37)26-7-10-30(64)31(65)15-26)16-27(63)17-34(29)89-59-54(81)51(78)48(75)39(92-59)23-85-44(71)19-41(67)68/h3-18,32,38-40,45,47-54,56-62,66,72,74-81H,19-23H2,1-2H3,(H4-,63,64,65,67,68,70,73)/p+1/b11-5+/t32-,38-,39-,40-,45+,47-,48-,49-,50+,51+,52+,53-,54-,56-,57-,58-,59-,60+,61-/m1/s1

InChIKey:

QRNIDVBVORPNBX-YYZQHOFDSA-O

Synonyms

arabidopsis anthocyanin A11

Databases

MetaCyc: CPD-16540

PubChem (CID): 71296189 71296141

MetaboLights: MTBLC72696

ChemSpider: 28540389

ChEBI: 72696 72649

KNApSAcK: C00007570