input word = C00004518

Metabolite InformationStructural formula
Name Hypolaetin 7-sophoroside
8-Hydroxyluteolin 7-sophoroside
7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4H-1-benzopyran-4-one
Formula C27H30O17
Mw 626.14829954
CAS RN 151363-22-3
C_ID C00004518 ,
InChIKey QOOQAJMNSMUNFZ-CSNGUHFLNA-N
InChICode InChI=1S/C27H30O17/c28-6-15-18(34)21(37)23(39)26(42-15)44-25-22(38)19(35)16(7-29)43-27(25)41-14-5-12(33)17-11(32)4-13(40-24(17)20(14)36)8-1-2-9(30)10(31)3-8/h1-5,15-16,18-19,21-23,25-31,33-39H,6-7H2/t15-,16-,18-,19-,21+,22+,23+,25-,26+,27-/m1/s1
SMILES O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeGratiola officinalis Ref.
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