input word = C00005639

Metabolite InformationStructural formula
Name Patuletin 3-O-beta-D-glucoside
Patuletin 3-glucoside
Formula C22H22O13
Mw 494.10604079
CAS RN 19833-27-3
C_ID C00005639 ,
InChIKey AFBZFRQNKMLRPU-XXGUDYNLNA-N
InChICode InChI=1S/C22H22O13/c1-32-20-10(26)5-11-13(15(20)28)16(29)21(19(33-11)7-2-3-8(24)9(25)4-7)35-22-18(31)17(30)14(27)12(6-23)34-22/h2-5,12,14,17-18,22-28,30-31H,6H2,1H3/t12-,14-,17+,18-,22+/m1/s1
SMILES COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)C(O)C3O)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina saltillensis Ref.
PlantaeAsteraceaeArnica amplexicaulis Ref.
PlantaeAsteraceaeArnica mollis Ref.
PlantaeAsteraceaeArnica montana cv.ARBO Ref.
PlantaeAsteraceaeArtemisia herba-alba Ref.
PlantaeAsteraceaeArtemisia monosperma Ref.
PlantaeAsteraceaeBrickellia vernicosa Ref.
PlantaeAsteraceaeDecachaeta ovatifolia Ref.
PlantaeAsteraceaeDesmanthodium spp. Ref.
PlantaeAsteraceaeEupatorium areolare Ref.
PlantaeAsteraceaeHymenoxys scaposa Ref.
PlantaeAsteraceaeLasthenia spp. Ref.
PlantaeAsteraceaeParthenium rollinsianum Ref.
PlantaeBromeliaceaeTillandsia bulbosa Ref.
PlantaeBromeliaceaeVriesea regina Ref.
PlantaeEriocaulaceaeEriocaulon buergerianum Ref.
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