input word = C00042629

Metabolite InformationStructural formula
Name Isocalolongic acid
Formula C22H28O6
Mw 388.18858863
CAS RN 40737-92-6
C_ID C00042629 ,
InChIKey MXFUJXIOAUPXPT-UHFFFAOYNA-N
InChICode InChI=1S/C22H28O6/c1-6-7-13(10-15(23)24)16-19(26)17-18(25)11(2)12(3)27-20(17)14-8-9-22(4,5)28-21(14)16/h8-9,11-13,26H,6-7,10H2,1-5H3,(H,23,24)/t11-,12+,13-/m1/s1
SMILES c12c(c(c(c3c1C=CC(O3)(C)C)[C@H](CCC)CC(=O)O)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 membranaceum Ref.
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum recedens Ref.
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OrganismCalophyllum membranaceum
ReferenceZou,J.Nat.Prod.,68,(2005),1514