input word = C00051176

Metabolite InformationStructural formula
Name Kusulactone
Formula C25H34O8
Mw 462.22536806
CAS RN 95851-19-7
C_ID C00051176
InChIKey KKKBNDJGZIGAIY-HMJRPPTQNA-N
InChICode InChI=1S/C25H34O8/c1-12-8-16(30-7)22(29)23(4)15(12)9-19-24(5)17(23)10-20(31-13(2)26)25(6,33-14(3)27)18(24)11-21(28)32-19/h8,12,15,17-20H,9-11H2,1-7H3/t12-,15+,17-,18-,19-,20-,23+,24-,25+/m1/s1
SMILES COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(OC(C)=O)[C@H](OC(C)=O)C[C@H]([C@@]2(C)C1=O)[C@@]34C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma quassioides Ref.
zoom in