input word = C00042383

Metabolite InformationStructural formula
Name Chapelieric acid
Formula C25H26O6
Mw 422.17293856
CAS RN 34336-13-5
C_ID C00042383 ,
InChIKey CEJSYHIZUAMEQV-UHFFFAOYNA-N
InChICode InChI=1S/C25H26O6/c1-13-14(2)30-24-19(17(12-18(26)27)15-8-6-5-7-9-15)23-16(10-11-25(3,4)31-23)22(29)20(24)21(13)28/h5-11,13-14,17,29H,12H2,1-4H3,(H,26,27)/t13-,14+,17+/m0/s1
SMILES c12c(c(c3c(c1[C@@H](c1ccccc1)CC(=O)O)OC(C=C3)(C)C)O)C(=O)[C@H]([C@H](O2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum chapelleri. Ref.
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum membranaceum Ref.
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