input word = C00054168

Metabolite InformationStructural formula
Name 8-Deoxy-11-hydroxy-13-chlorogrosheimin
Formula C15H19ClO4
Mw 298.09718681
CAS RN 83551-02-4
C_ID C00054168
InChIKey RXUIKPFKVDKIDO-UHFFFAOYSA-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/h8-10,12-13,19H,1,3-6H2,2H3
SMILES C=C1CCC2C(OC(=O)C2(O)CCl)C2C(C)C(=O)CC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCynara scolymus Ref.
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OrganismCynara scolymus
ReferenceBarbetti, P. et al., Nat. Prod. Lett., 1993, 3, 21 (isol, pmr, cmr)