input word = C00033526

Metabolite InformationStructural formula
Name 13-Chlorosolstitialin
Formula C15H19ClO4
Mw 298.09718681
CAS RN 142563-68-6
C_ID C00033526 ,
InChIKey CERFFUSNAFWYOP-MIBAWIEXNA-N
InChICode InChI=1S/C15H19ClO4/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1
SMILES [C@H]12[C@H](C(=C)CC[C@@H]3[C@@H]1OC(=O)[C@@]3(CCl)O)C[C@@H](C2=C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzoneroides muelleri (Sch.Bip.) Ref.
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