input word = C00020878

Metabolite InformationStructural formula
Name Pumilin
Formula C20H22O7
Mw 374.13655306
CAS RN 1405-19-2
C_ID C00020878 ,
InChIKey SLZLXIXUYNEOBA-YMLVABKSNA-N
InChICode InChI=1S/C20H22O7/c1-6-8(2)18(23)26-16-11(5)14-12(21)7-9(3)20(14,25)17-13(15(16)22)10(4)19(24)27-17/h6-7,13,15-17,22,25H,4H2,1-3,5H3/b8-6-/t13-,15-,16-,17+,20-/m1/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@H](OC(=O)/C(C)=CC)C(C)=C1C(=O)C=C(C)[C@@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBerlandiera betonicifolia Ref.
PlantaeAsteraceaeBerlandiera pumila Ref.
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