input word = C00055839

Metabolite InformationStructural formula
Name Epunctanone
Formula C38H52O6
Mw 604.37638939
CAS RN 1824664-99-4
C_ID C00055839
InChIKey ZNQJJVUWTVVSJR-PFACJMQPSA-N
InChICode InChI=1S/C38H52O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h12-13,16-17,19,22,26-27,39-40H,11,14-15,18,20-21H2,1-10H3/t26-,27-,37-,38-/m0/s1
SMILES OC1=C(O)C=CC(C(C2=C3[C@@]4(C[C@H](C/C=C(C)C)C(C)(C)O3)C[C@H](CCC(C)C)C(C)(C)[C@](C/C=C(C)C)(C4=O)C2=O)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia epunctata Ref.
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