cyanidin 3-(p-coumaroyl)-glucoside
Chemical Formula:
C30H25O13
Molecular Weight:
593.52 Daltons
Monoisotopic Mass:
595.145165954 Daltons
SMILES:
C(OC(=O)C=CC1(C=CC(O)=CC=1))C5(C(O)C(O)C(O)C(OC3(C(C2(C=CC(O)=C(O)C=2))=[O+]C4(=C(C=3)C([O-])=CC([O-])=C4)))O5)
InChI:
1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p-1/t24-,26-,27+,28-,30?/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-7866
PubChem (CID):
102515358
MetaboLights:
MTBLC29560