input word = C00005641

Metabolite InformationStructural formula
Name Patuletin 3-glucuronide
Formula C22H20O14
Mw 508.08530535
CAS RN 33530-67-5
C_ID C00005641 ,
InChIKey VBYFRNFQCXODLK-MQLOOEFCNA-N
InChICode InChI=1S/C22H20O14/c1-33-18-9(25)5-10-11(12(18)26)13(27)19(17(34-10)6-2-3-7(23)8(24)4-6)35-22-16(30)14(28)15(29)20(36-22)21(31)32/h2-5,14-16,20,22-26,28-30H,1H3,(H,31,32)/t14-,15-,16+,20-,22+/m0/s1
SMILES COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)C(O)C3O)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArnica spp. Ref.
PlantaeAsteraceaeLasthenia conjugens Ref.
PlantaeAsteraceaeLasthenia fremontii Ref.
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