input word = C00013799

Metabolite InformationStructural formula
Name Kaempferol 3-glucosyl-(1->2)-rhamnoside-7-(6''-(E)-p-coumaroylglucoside)
3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C42H46O22
Mw 902.24807316
CAS RN 352283-41-1
C_ID C00013799 ,
InChIKey COFIEYUEZUDPJJ-JWWVZOHLNA-N
InChICode InChI=1S/C42H46O22/c1-16-28(48)34(54)39(64-41-36(56)32(52)29(49)24(14-43)61-41)42(58-16)63-38-31(51)27-22(46)12-21(13-23(27)60-37(38)18-5-9-20(45)10-6-18)59-40-35(55)33(53)30(50)25(62-40)15-57-26(47)11-4-17-2-7-19(44)8-3-17/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+/t16-,24-,25+,28-,29+,30+,32-,33-,34+,35-,36+,39-,40+,41-,42-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)c(cc(c2)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeResedaceaeReseda muricata Ref.
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