input word = C00004521

Metabolite InformationStructural formula
Name 8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)(6''-acetylglucoside)
Formula C32H36O19
Mw 724.18507897
CAS RN 108706-09-8
C_ID C00004521 ,
InChIKey ZXQCHXLLIKMUTB-VSZLIDMYNA-N
InChICode InChI=1S/C32H36O19/c1-11(33)45-9-20-23(38)26(41)28(43)31(49-20)51-30-27(42)24(39)21(10-46-12(2)34)50-32(30)48-19-8-16(37)22-15(36)7-18(47-29(22)25(19)40)13-4-5-17(44-3)14(35)6-13/h4-8,20-21,23-24,26-28,30-32,35,37-43H,9-10H2,1-3H3/t20-,21+,23+,24+,26+,27+,28+,30-,31+,32-/m1/s1
SMILES c1(cc(c2c(c1O)oc(cc2=O)c1ccc(c(c1)O)OC)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)COC(=O)C)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)COC(=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis scardica Ref.
PlantaeLabiataeSideritis syriaca Ref.
PlantaePlantaginaceaeGratiola officinalis Ref.
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