input word = C00014276

Metabolite InformationStructural formula
Name Leucadenone C
Formula C33H32O7
Mw 540.21480338
CAS RN 249915-38-6
C_ID C00014276 ,
InChIKey VAJKIKOYPOZJCO-FGZBGQRDNA-N
InChICode InChI=1S/C33H32O7/c1-17-26(35)23-20(34)16-21(18-12-8-6-9-13-18)39-28(23)24-22(19-14-10-7-11-15-19)25-29(36)31(2,3)30(37)32(4,5)33(25,38)40-27(17)24/h6-15,21-22,25,35,38H,16H2,1-5H3/t21-,22+,25+,33+/m0/s1
SMILES C1(C(=O)C([C@]2([C@@H](C1=O)[C@@H](c1c(O2)c(c(c2c1O[C@@H](CC2=O)c1ccccc1)O)C)c1ccccc1)O)(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeMelaleuca leucadendron Ref.
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