input word = C00019945

Metabolite InformationStructural formula
Name Merrillin
Formula C15H18O5
Mw 278.11542369
CAS RN 120787-71-5
C_ID C00019945 ,
InChIKey MDHGKVCLHTWCOA-DUXBJXIBNA-N
InChICode InChI=1S/C15H18O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-8,13-14,17-18H,1-3H3/t13-,14+/m1/s1
SMILES c1(ccc2c(c1[C@@H]([C@H](O)C(C)C)O)oc(=O)cc2)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMerrillia caloxylon Ref.
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