input word = C00064486

Metabolite InformationStructural formula
Name trans-Caffeic acid methyl ester
Formula C10H10O4
Mw 194.05790881
CAS RN 67667-67-8
C_ID C00064486
InChIKey OCNYGKNIVPVPPX-HWKANZROSA-N
InChICode InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
SMILES COC(=O)C=Cc1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
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OrganismScrophularia ningpoensis
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 3, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.