input word = C00001102

Metabolite InformationStructural formula
Name Swertiajaponin
Leucanthoside
6-beta-D-glucopyranosyl-3',4',5-trihydroxy-7-methoxyflavone
Formula C22H22O11
Mw 462.11621155
CAS RN 6980-25-2
C_ID C00001102 ,
InChIKey DLVLXOYLQKCAME-FPRNEBIWNA-N
InChICode InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea leptophylla Ref.
PlantaeAsteraceaeAchillea spp. Ref.
PlantaeAsteraceaeTragopogon spp. Ref.
PlantaeDipsacaceaeCephalaria leucantha Ref.
PlantaeDipsacaceaeCephalaria uralensis Ref.
PlantaeDipsacaceae/Diervillaceae/Linnaeaceae/ValerianaceaeKnautia montana Ref.
PlantaeGentianaceaeGentiana germanica Ref.
PlantaeGentianaceaeGentiana ramosa Ref.
PlantaeGentianaceaeSwertia japonica Ref.
PlantaeGentianaceaeSwertia mileensis Ref.
PlantaeGnetaceaeGnetum gnemon Ref.
PlantaeIridaceaeIris germanica Ref.
PlantaeIridaceaeIris nertshinskia Ref.
PlantaeIridaceaeIris ramosa Ref.
PlantaeIridaceaeIris sanguinea Ref.
PlantaePoaceaeCymbopogon citratus Ref.
PlantaePoaceaeDeschampsia antarctica Ref.
--Pterocephalus plumosus Ref.
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OrganismDeschampsia antarctica
ReferenceWebby,Phytochem.,36,(1994),1323