input word = C00059476

Metabolite InformationStructural formula
Name 2-(3,4-Dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-1-benzopyrylium
Formula C37H39O19.Cl
Mw 822.17740678
CAS RN 124660-19-1
C_ID C00059476
InChIKey NVPWCJHNVZSERY-UHFFFAOYSA-N
InChICode InChI=1S/C37H38O19.ClH/c1-50-24-8-15(2-5-20(24)41)3-7-28(43)51-14-27-30(45)32(47)34(49)37(56-27)54-25-12-18-22(52-35(25)16-4-6-19(40)21(42)9-16)10-17(39)11-23(18)53-36-33(48)31(46)29(44)26(13-38)55-36;/h2-12,26-27,29-34,36-38,44-49H,13-14H2,1H3,(H3-,39,40,41,42,43);1H
SMILES COc1cc(C=CC(=O)OCC2OC(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(O)C(O)C2O)ccc1O.[Cl-]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePerilla frutescens Ref.
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OrganismPerilla frutescens
Referencehttps://doi.org/10.1080/00021369.1989.10869555