input word = C00040018

Metabolite InformationStructural formula
Name Pinetoric acid I
(-)-Pinetoric acid I
Formula C23H30O6
Mw 402.20423869
CAS RN 1037015-50-1
C_ID C00040018 ,
InChIKey UXMDQRKTSNQRJU-FTMINEOHNA-N
InChICode InChI=1S/C23H30O6/c1-6-7-8-14(11-16(24)25)17-20(27)18-19(26)12(2)13(3)28-21(18)15-9-10-23(4,5)29-22(15)17/h9-10,12-14,27H,6-8,11H2,1-5H3,(H,24,25)/t12-,13+,14+/m1/s1
SMILES c12c(c(c(c3c1C=CC(O3)(C)C)[C@@H](CCCC)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 pinetorum Ref.
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OrganismCalophyllum pinetorum
ReferenceAlrcon,J.Nat.Prod.,71,(2008),1283