input word = C00020436

Metabolite InformationStructural formula
Name Bibsanin
Formula C15H19ClO6
Mw 330.08701605
CAS RN 72971-52-9
C_ID C00020436 ,
InChIKey LNVDPCJEHJBQEH-DYKHHHHZNA-N
InChICode InChI=1S/C15H19ClO6/c1-5-7-6(17)4-13(2,19)15-9(8(7)21-12(5)18)14(3,20)10(16)11(15)22-15/h6-11,17,19-20H,1,4H2,2-3H3/t6-,7+,8-,9-,10+,11-,13+,14-,15+/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(C)(O)C13OC1C(Cl)C(C)(O)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea biebersteinii Ref.
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OrganismAchillea biebersteinii
ReferenceYusupov,Khim. Prir. Soedin.,(1979),580