input word = C00058889

Metabolite InformationStructural formula
Name 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[[2-O-[5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-D-apio-beta-D-furanosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C36H36O18
Mw 756.19016435
CAS RN 1006583-98-7
C_ID C00058889
InChIKey SFWRXHMXWXVZPF-ORMDVPAZSA-N
InChICode InChI=1S/C36H36O18/c1-48-25-8-16(2-5-20(25)39)3-7-28(43)49-14-36(47)15-50-35(33(36)46)54-32-31(45)30(44)27(13-37)53-34(32)51-18-10-22(41)29-23(42)12-24(52-26(29)11-18)17-4-6-19(38)21(40)9-17/h2-12,27,30-35,37-41,44-47H,13-15H2,1H3/b7-3+/t27-,30-,31+,32-,33+,34-,35+,36-/m1/s1
SMILES COc1cc(C=CC(=O)OCC2(O)COC(OC3C(Oc4cc(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c4)OC(CO)C(O)C3O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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