dalnigrein 7-O-β-D-apiofuranosyl-(1-6)-β-D-glucopyranoside

dalnigrein 7-O-β-D-apiofuranosyl-(1-6)-β-D-glucopyranoside




Chemical Formula:
C30H36O16
Molecular Weight:
652.605 Daltons
Monoisotopic Mass:
652.2003351092 Daltons
SMILES:
COC1(=C(C=C(C(=C1)OC)OC)C2(C(C3(C=C(C(=CC(OC=2)=3)OC4(OC(C(O)C(O)C(O)4)COC5(C(O)C(CO)(O)CO5)))OC))=O))
InChI:
1S/C30H36O16/c1-38-16-7-20(41-4)18(39-2)5-13(16)15-9-42-17-8-21(19(40-3)6-14(17)23(15)32)45-28-26(35)25(34)24(33)22(46-28)10-43-29-27(36)30(37,11-31)12-44-29/h5-9,22,24-29,31,33-37H,10-12H2,1-4H3/t22-,24+,25-,26+,27-,28+,29+,30+/m0/s1
InChIKey:
OBZQFWQGMXWKEI-FNVGUSKRSA-N

Synonyms
  • 7-β-D-apiofuranosyl-(1->6)-β-D-glucopyranosyloxy) isoflavonoid
  • dalnigrein glycoside
  • 7-hydroxy-2',4',5',6-tetramethoxy-7-O-β-D-apiofuranosyl-(1->6)-β-D-glucopyranoside

Databases
MetaCyc:  CPD-9695
PubChem (CID):  91820450
MetaNetX:  MNXM8516