input word = C00031992

Metabolite InformationStructural formula
Name Macelignan
Formula C20H24O4
Mw 328.16745925
CAS RN 107534-93-0
C_ID C00031992 ,
InChIKey QDDILOVMGWUNGD-DUXBJXIBNA-N
InChICode InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
SMILES c1(ccc(cc1OC)C[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeucas aspera Ref.
PlantaeLauraceaeMachilus thunbergii Ref.
PlantaeMyristicaceaeMyristica fragrans Ref.
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