input word = C00013642

Metabolite InformationStructural formula
Name 8-Hydroxyapigenin 8-sophoroside
8-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C27H30O16
Mw 610.15338491
CAS RN 68116-43-8
C_ID C00013642 ,
InChIKey FHPGRJSWCJSVEN-KTVKIVBTNA-N
InChICode InChI=1S/C27H30O16/c28-7-15-18(34)20(36)22(38)26(40-15)43-25-21(37)19(35)16(8-29)41-27(25)42-23-13(33)5-11(31)17-12(32)6-14(39-24(17)23)9-1-3-10(30)4-2-9/h1-6,15-16,18-22,25-31,33-38H,7-8H2/t15-,16-,18-,19-,20+,21+,22-,25-,26+,27+/m1/s1
SMILES O=c1cc(-c2ccc(O)cc2)oc2c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeGratiola officinalis Ref.
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