input word = C00014275

Metabolite InformationStructural formula
Name Leucadenone B
Formula C33H32O7
Mw 540.21480338
CAS RN 249915-36-4
C_ID C00014275 ,
InChIKey VAJKIKOYPOZJCO-NCCCMGHINA-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 Cc1c(O)c2c(c3c1O[C@]1(O)[C@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@H]3c1ccccc1)O[C@H](c1ccccc1)CC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeMelaleuca leucadendron Ref.
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