dalpatein 7-O-β-D-apiofuranosyl-(1->6)-β-D-glucopyranoside
Chemical Formula:
C29H32O16
Molecular Weight:
636.562 Daltons
Monoisotopic Mass:
636.1690349808 Daltons
SMILES:
COC1(=C(C=C2(C(=C1)OCO2))C3(C(C4(=C(OC=3)C=C(C(=C4)OC)OC5(OC(C(O)C(O)C(O)5)COC6(C(O)C(CO)(O)CO6))))=O))
InChI:
1S/C29H32O16/c1-37-15-5-19-18(42-11-43-19)3-12(15)14-7-39-16-6-20(17(38-2)4-13(16)22(14)31)44-27-25(34)24(33)23(32)21(45-27)8-40-28-26(35)29(36,9-30)10-41-28/h3-7,21,23-28,30,32-36H,8-11H2,1-2H3/t21-,23+,24-,25+,26-,27+,28+,29+/m0/s1
InChIKey:
Synonyms
- dalpatein glycoside
Databases
MetaCyc:
CPD-9693
PubChem (CID):
91819873
Seed:
cpd25786
MetaNetX:
MNXM163791