input word = C00006074

Metabolite InformationStructural formula
Name Patuletin 3-glucoside-7-sulfate
Formula C22H22O16S
Mw 574.06285539
CAS RN 33530-69-7
C_ID C00006074 ,
InChIKey DMVNSIHCOCHGOK-XXGUDYNLNA-N
InChICode InChI=1S/C22H22O16S/c1-34-20-11(38-39(31,32)33)5-10-13(15(20)27)16(28)21(19(35-10)7-2-3-8(24)9(25)4-7)37-22-18(30)17(29)14(26)12(6-23)36-22/h2-5,12,14,17-18,22-27,29-30H,6H2,1H3,(H,31,32,33)/t12-,14-,17+,18-,22+/m1/s1
SMILES COc1c(OS(=O)(=O)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
PlantaeAsteraceaeLasthenia conjugens Ref.
PlantaeAsteraceaeLasthenia fremontii Ref.
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