input word = C00046068

Metabolite InformationStructural formula
Name Kulactone
Formula C30H44O3
Mw 452.32904527
CAS RN 22611-36-5
C_ID C00046068 ,
InChIKey ZIVZDNPCRURPNL-YDWJCIOMNA-N
InChICode InChI=1S/C30H44O3/c1-18(2)9-8-10-19-25-22(33-26(19)32)17-30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,11,19-20,22-23,25H,8,10,12-17H2,1-7H3/t19-,20+,22+,23+,25-,28-,29+,30-/m1/s1
SMILES CC(C)=CCC[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
PlantaeMeliaceaeMelia dubia Ref.
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OrganismMelia azedarach
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979)