input word = C00006122

Metabolite InformationStructural formula
Name Isoswertiajaponin
2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Formula C22H22O11
Mw 462.11621155
CAS RN 6980-41-2
C_ID C00006122 ,
InChIKey BRYZTZMVXZZLPD-PLAKOYNZNA-N
InChICode InChI=1S/C22H22O11/c1-31-14-6-12(27)16-11(26)5-13(8-2-3-9(24)10(25)4-8)32-21(16)17(14)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-25,27-30H,7H2,1H3/t15-,18-,19+,20-,22+/m1/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)oc(cc2=O)c1cc(c(cc1)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGnetaceaeGnetum gnemon Ref.
PlantaeIridaceaeIris florentina Ref.
PlantaePassifloraceaePassiflora sexflora Ref.
PlantaePoaceaePhragmites australis Ref.
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