input word = C00006021

Metabolite InformationStructural formula
Name Patuletin 3-(6''-acetylglucoside)
Formula C24H24O14
Mw 536.11660548
CAS RN 118201-24-4
C_ID C00006021 ,
InChIKey UZMXXPUWSOLRLS-RRIXFKECNA-N
InChICode InChI=1S/C24H24O14/c1-8(25)35-7-14-16(29)19(32)20(33)24(37-14)38-23-18(31)15-13(6-12(28)22(34-2)17(15)30)36-21(23)9-3-4-10(26)11(27)5-9/h3-6,14,16,19-20,24,26-30,32-33H,7H2,1-2H3/t14-,16-,19+,20-,24+/m1/s1
SMILES COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)C(O)C3O)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArnica chamissonis Ref.
PlantaeAsteraceaeArnica mollis Ref.
PlantaeAsteraceaeLagascea mollis Ref.
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