input word = C00054396

Metabolite InformationStructural formula
Name Deacetylnomilinic acid
Formula C26H34O9
Mw 490.22028269
CAS RN 35930-21-3
C_ID C00054396
InChIKey OZOFRBKHLATMMU-UHFFFAOYSA-N
InChICode InChI=1S/C26H34O9/c1-22(2,32)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)30)6-8-23(3)19(13-7-9-33-12-13)34-21(31)20-26(23,25)35-20/h7,9,12,14-16,19-20,27,32H,6,8,10-11H2,1-5H3,(H,29,30)
SMILES CC(C1CC2)(C(CC(C(C)(O)C)C1(C)C(O)CC(O)=O)=O)C34C2(C(C5=COC=C5)OC(C3O4)=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus ichangensis Ref.
PlantaeRutaceaeCitrus paradisi Ref.
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