input word = C00005638

Metabolite InformationStructural formula
Name Patuletin 3-galactoside
Formula C22H22O13
Mw 494.10604079
CAS RN 35399-34-9
C_ID C00005638 ,
InChIKey AFBZFRQNKMLRPU-KBPBLYMQNA-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
PlantaeAsteraceaeBrickellia arguta Ref.
PlantaeAsteraceaeBrickellia cylindracea Ref.
PlantaeAsteraceaeDecachaeta ovatifolia Ref.
PlantaeAsteraceaeEupatorium areolare Ref.
PlantaeAsteraceaePallenis spinosa Ref.
PlantaeAsteraceaePlummera ambigens Ref.
PlantaePolemoniaceaeIpomopsis aggregata Ref.
PlantaePolemoniaceaeIpomopsis polycladon Ref.
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