delphinidin 3-O-sophoroside
Chemical Formula:
C27H30O17
Molecular Weight:
626.524 Daltons
Monoisotopic Mass:
627.1561245708 Daltons
SMILES:
C(O)C1(C(O)C(O)C(O)C(O1)OC2(C(O)C(O)C(CO)OC2OC4(C(C3(C=C(O)C(O)=C(O)C=3))=[O+]C5(=C(C=4)C([O-])=CC(O)=C5))))
InChI:
1S/C27H30O17/c28-6-16-19(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34)/t16-,17-,19-,20-,21-,22-,23-,25-,26?,27?/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-7844
PubChem (CID):
25245976
KEGG:
C16307
Seed:
cpd15023
MetaNetX:
MNXM8522
ChEBI:
80439