ternatin C5
Chemical Formula:
C36H40O25
Molecular Weight:
872.697 Daltons
Monoisotopic Mass:
875.2093419328 Daltons
SMILES:
C(O)C6(OC(OC2(C(O)=C(OC1(C(O)C(O)C(O)C(CO)O1))C=C(C=2)C4(C(OC3(C(O)C(O)C(O)C(COC(CC(=O)[O-])=O)O3))=CC5(C([O+]=4)=CC([O-])=CC([O-])=5))))C(O)C(O)C(O)6)
InChI:
1S/C36H42O25/c37-7-18-24(45)27(48)30(51)34(59-18)56-15-1-10(2-16(23(15)44)57-35-31(52)28(49)25(46)19(8-38)60-35)33-17(5-12-13(40)3-11(39)4-14(12)55-33)58-36-32(53)29(50)26(47)20(61-36)9-54-22(43)6-21(41)42/h1-5,18-20,24-32,34-38,45-53H,6-9H2,(H3-,39,40,41,42,44)/p-2/t18-,19-,20-,24-,25-,26-,27+,28+,29+,30-,31-,32-,34-,35?,36-/m1/s1
InChIKey:
Synonyms
- delphinidin 3-O-(6''-O-malonyl)-β-glucoside-3',5'-di-O-β-glucoside
Databases
MetaCyc:
CPD-7864
PubChem (CID):
102515282
ChEBI:
55335
KEGG:
C16303
Seed:
cpd15019
MetaNetX:
MNXM2735