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@@H]1([C@]([C@H]2[C@@]3([C@H]1O3)[C@](C[C@@H]([C@@H]1[C@@H]2OC(=O)C1=C)O)(C)O)(O)C)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea biebersteinii Ref.
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