input word = C00040019

Metabolite InformationStructural formula
Name Pinetoric acid II
Formula C23H30O6
Mw 402.20423869
CAS RN 1037015-53-4
C_ID C00040019 ,
InChIKey XNLPJXSZRVLTGM-FTMINEOHNA-N
InChICode InChI=1S/C23H30O6/c1-6-7-8-14(11-16(24)25)17-21-15(9-10-23(4,5)29-21)20(27)18-19(26)12(2)13(3)28-22(17)18/h9-10,12-14,27H,6-8,11H2,1-5H3,(H,24,25)/t12-,13+,14+/m0/s1
SMILES c12c(c(c3c(c1[C@@H](CC(=O)O)CCCC)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 pinetorum Ref.
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