cyanidin 3-O-sophoroside
Chemical Formula:
C27H30O16
Molecular Weight:
610.524 Daltons
Monoisotopic Mass:
611.1612099486999 Daltons
SMILES:
C(O)C1(C(O)C(O)C(O)C(O1)OC2(C(O)C(O)C(CO)OC2OC4(C(C3(C=CC(O)=C(O)C=3))=[O+]C5(=C(C=4)C([O-])=CC(O)=C5))))
InChI:
1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27?/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-7842
PubChem (CID):
52940267
KEGG:
C16306
Seed:
cpd15022
MetaNetX:
MNXM8471
ChEBI:
80438