input word = C00006417

Metabolite InformationStructural formula
Name Isochapelieric acid methyl ester
Formula C26H28O6
Mw 436.18858863
CAS RN 90866-14-1
C_ID C00006417 ,
InChIKey RAHPEWVPJAMHRZ-RUHOFNOKNA-N
InChICode InChI=1S/C26H28O6/c1-14-15(2)31-25-20(18(13-19(27)30-5)16-9-7-6-8-10-16)24-17(11-12-26(3,4)32-24)23(29)21(25)22(14)28/h6-12,14-15,18,29H,13H2,1-5H3/t14-,15+,18-/m0/s1
SMILES C1=CC(Oc2c1c(c1c(c2[C@@H](CC(=O)OC)c2ccccc2)O[C@@H]([C@@H](C1=O)C)C)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum calaba Ref.
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum chapelieri Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia spicata Ref.
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