input word = C00044628

Metabolite InformationStructural formula
Name Clusianone
Formula C33H42O4
Mw 502.30830983
CAS RN 59111-58-9
C_ID C00044628 ,
InChIKey JXKKYQPCNJMAHZ-KXIAOTECNA-N
InChICode InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,35H,15,18-20H2,1-8H3/t25-,32+,33-/m0/s1
SMILES [C@@H]1(C[C@@]2(C(=C(C(=O)[C@@](C1(C)C)(CC=C(C)C)C2=O)C(=O)c1ccccc1)O)CC=C(C)C)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeClusia congestiflora Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia assigu Ref.
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OrganismGarcinia assigu
ReferenceIto,J.Nat.Prod.,66,(2003),206