bisdemalonylsalvianin
Chemical Formula:
C36H36O18
Molecular Weight:
756.67 Daltons
Monoisotopic Mass:
757.1979893855 Daltons
SMILES:
C(O)C6(C(C(C(C(OC3(=CC([O-])=CC2([O+]=C(C1(=CC=C(O)C=C1))C(=CC=23)OC5(C(O)C(O)C(O)C(COC(=O)C=CC4(=CC=C(O)C(O)=C4))O5))))O6)O)O)O)
InChI:
1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
InChIKey:
Synonyms
- pelargonidin 3-O-(6-caffeoyl-β-D-glucoside) 5-O-β-D glucoside
Databases
MetaCyc:
CPD-7140
ChEBI:
58640
PubChem (CID):
45266708
KEGG:
C12640
Seed:
cpd09271
MetaNetX:
MNXM2271