input word = C00012367

Metabolite InformationStructural formula
Name Litseaculane
Formula C17H18O6
Mw 318.11033831
CAS RN 20149-39-7
C_ID C00012367 ,
InChIKey YXNGCNVNGXWHLX-YVMONPNENA-N
InChICode InChI=1S/C17H18O6/c1-8-5-4-6-17-15(23-17)14(22-16(17)19)11-9(2)7-20-13(11)12(8)21-10(3)18/h5,7,12,14-15H,4,6H2,1-3H3/b8-5+/t12-,14+,15+,17+/m1/s1
SMILES c12c(occ1C)[C@@H](/C(=C/CC[C@@]13[C@H]([C@H]2OC3=O)O1)/C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeNeolitsea aciculata Ref.
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OrganismNeolitsea aciculata
ReferenceTakeda,J.Chem.Soc.C.,(1970),973