cyanidin-3-O-rutinoside-5-O-β-D-glucoside

cyanidin-3-<i>O</i>-rutinoside-5-<i>O</i>-β-D-glucoside




Chemical Formula:
C33H40O20
Molecular Weight:
756.667 Daltons
Monoisotopic Mass:
757.2191187581 Daltons
SMILES:
CC1(C(O)C(O)C(O)C(O1)OCC2(C(O)C(O)C(O)C(O2)OC6(=CC4(C(OC3(OC(CO)C(O)C(O)C(O)3))=CC([O-])=CC=4[O+]=C(C5(C=C(O)C(O)=CC=5))6))))
InChI:
1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1
InChIKey:
DFJZNAHUOVEDQB-HWKLKBEVSA-N

Synonyms
  • cyanidin 3-rutinoside-5-glucoside
  • a cyanidin-3-O-rutinoside-5-O-β-D-glucoside

Databases
MetaCyc:  CPD-15002
PubChem (CID):  86289084
ChEBI:  57830
KEGG:  C12646
Seed:  cpd09277
MetaNetX:  MNXM7212
3DMET:  B04673