input word = C00047808

Metabolite InformationStructural formula
Name Clinopodic acid A
(+)-Clinopodic acid A
4-coumaroyl-3',4'-dihydroxyphenyllactic acid
Formula C18H16O7
Mw 344.08960287
CAS RN 145757-61-5
C_ID C00047808 ,
InChIKey KIMHJUCTTIEANQ-JQGZSMGHNA-N
InChICode InChI=1S/C18H16O7/c19-13-5-1-11(2-6-13)4-8-17(22)25-16(18(23)24)10-12-3-7-14(20)15(21)9-12/h1-9,16,19-21H,10H2,(H,23,24)/b8-4+/t16-/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClinopodium chinense var. parviflorum Ref.
PlantaeLabiataeMelissa officinalis Ref.
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OrganismMelissa officinalis
ReferenceWeitzel, C. and Petersen, M., Planta, 232 (2010), 731-742.