input word = C00006006

Metabolite InformationStructural formula
Name Isorhamnetin 3-(6''-malonylglucoside)
Formula C25H24O15
Mw 564.1115201
CAS RN 86555-37-5
C_ID C00006006 ,
InChIKey QCPKSTMYFZPGOX-XKKJNZNMNA-N
InChICode InChI=1S/C25H24O15/c1-36-13-4-9(2-3-11(13)27)23-24(20(33)18-12(28)5-10(26)6-14(18)38-23)40-25-22(35)21(34)19(32)15(39-25)8-37-17(31)7-16(29)30/h2-6,15,19,21-22,25-28,32,34-35H,7-8H2,1H3,(H,29,30)/t15-,19-,21-,22-,25+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePyrus communis Ref.
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