input word = C00006007

Metabolite InformationStructural formula
Name Isorhamnetin 3-[6''-(2-(E)-butenoyl)-glucoside]
(E)-5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[6-O-(1-oxo-2-butenyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C26H26O13
Mw 546.13734092
CAS RN 145204-82-6
C_ID C00006007 ,
InChIKey YBZTUOCLPWXKIW-CXHWAXCJNA-N
InChICode InChI=1S/C26H26O13/c1-3-4-18(30)36-10-17-20(31)22(33)23(34)26(38-17)39-25-21(32)19-14(29)8-12(27)9-16(19)37-24(25)11-5-6-13(28)15(7-11)35-2/h3-9,17,20,22-23,26-29,31,33-34H,10H2,1-2H3/b4-3+/t17-,20-,22-,23-,26+/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)/C=C/C)O)O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum simplex Ref.
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