input word = C00060724

Metabolite InformationStructural formula
Name 5-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-1-benzopyrylium
Formula C37H39O18
Mw 771.21363945
CAS RN 205505-30-2
C_ID C00060724
InChIKey YOBDYPINTRIHCR-OTOOEMNYSA-O
InChICode InChI=1S/C37H38O18/c1-49-24-10-17(5-8-21(24)41)35-25(13-20-22(51-35)11-19(40)12-23(20)52-36-33(47)31(45)29(43)26(14-38)54-36)53-37-34(48)32(46)30(44)27(55-37)15-50-28(42)9-4-16-2-6-18(39)7-3-16/h2-13,26-27,29-34,36-38,43-48H,14-15H2,1H3,(H2-,39,40,41,42)/p+1/t26-,27-,29-,30-,31+,32+,33-,34-,36-,37-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3cc2OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOcimum basilicum Ref.
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