input word = C00021174

Metabolite InformationStructural formula
Name Arnifolin
Formula C20H26O6
Mw 362.17293856
CAS RN 25644-08-0
C_ID C00021174 ,
InChIKey OUCLBKPZGHAPKI-SSQGNLJSNA-N
InChICode InChI=1S/C20H26O6/c1-6-9(2)18(23)26-17-15-11(4)19(24)25-13(15)7-10(3)16-12(21)8-14(22)20(16,17)5/h6,10,12-13,15-17,21H,4,7-8H2,1-3,5H3/b9-6+/t10-,12+,13-,15+,16-,17+,20-/m1/s1
SMILES [C@@H]12[C@]([C@H]([C@@H]3[C@@H](C[C@H]1C)OC(=O)C3=C)OC(=O)/C(=C/C)/C)(C(=O)C[C@@H]2O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArnica foliosa Ref.
PlantaeAsteraceaeArnica montana Ref.
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