input word = C00054153

Metabolite InformationStructural formula
Name Coriandrone A
Formula C16H20O5
Mw 292.13107375
CAS RN 139906-03-9
C_ID C00054153
InChIKey QBALHQFWXZYTDM-UFBFGSQYSA-N
InChICode InChI=1S/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(16(2,3)18)21-14(10)13(9)15(17)20-8/h6,8,12,18H,5,7H2,1-4H3/t8-,12-/m0/s1
SMILES COc1cc2c(c3c1C[C@@H](C(C)(C)O)O3)C(=O)O[C@@H](C)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeCoriandrum sativum Ref.
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OrganismCoriandrum sativum
ReferenceBaba, K. et al., Phytochemistry, 1991, 30, 4143 (isol, pmr, cmr, cryst struct)