input word = C00041014

Metabolite InformationStructural formula
Name Isoinophynone
Formula C24H24O4
Mw 376.16745925
CAS RN 234767-43-2
C_ID C00041014 ,
InChIKey CLZBUZYFEDJSCK-UYWMCZCJNA-N
InChICode InChI=1S/C24H24O4/c1-13-15(3)27-22-17-11-12-24(4,5)28-23(17)18(21(26)19(22)20(13)25)14(2)16-9-7-6-8-10-16/h6-13,15,26H,2H2,1,3-5H3/t13-,15+/m0/s1
SMILES C=C(c1ccccc1)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@H](C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum inophyllum Ref.
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