input word = C00020080

Metabolite InformationStructural formula
Name 3-Methoxy-14-calamenoic acid
Formula C16H22O3
Mw 262.15689457
CAS RN 73484-01-2
C_ID C00020080 ,
InChIKey TZLBIEKHFHDXHJ-WEUYFXHZNA-N
InChICode InChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(17)18)14-8-15(19-4)10(3)7-13(11)14/h7-9,11-12H,5-6H2,1-4H3,(H,17,18)/t11-,12+/m0/s1
SMILES COc1cc2c(cc1C)[C@H](C(C)C)CC[C@H]2C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHeterotheca grandiflora Ref.
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