input word = C00005527

Metabolite InformationStructural formula
Name Isorhamnetin 3-glucuronide
Formula C22H20O13
Mw 492.09039073
CAS RN 36687-76-0
C_ID C00005527 ,
InChIKey VVZWHOMBDMMRSC-GAOPBNHONA-N
InChICode InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAnethum graveolens Ref.
PlantaeApiaceaeAnethum sowa Ref.
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeAsteraceaeArnica spp. Ref.
PlantaeCampanulaceae/LobeliaceaeCampanula glomerata Ref.
PlantaePhilydraceaePhilydrum lanuginosum Ref.
PlantaeRosaceaePotentilla anserina Ref.
PlantaeZingiberaceaeRoscoea cauteloides Ref.
PlantaeZingiberaceaeRoscoea humeana Ref.
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