input word = C00041664

Metabolite InformationStructural formula
Name Methyl deacetylnomilinate
Formula C27H36O9
Mw 504.23593275
CAS RN 74729-99-0
C_ID C00041664 ,
InChIKey TVQKRQLDABKLDX-UHFFFAOYNA-N
InChICode InChI=1S/C27H36O9/c1-23(2,32)16-11-18(29)26(5)15(25(16,4)17(28)12-19(30)33-6)7-9-24(3)20(14-8-10-34-13-14)35-22(31)21-27(24,26)36-21/h8,10,13,15-17,20-21,28,32H,7,9,11-12H2,1-6H3/t15-,16+,17-,20+,21+,24+,25-,26-,27+/m1/s1
SMILES COC(=O)CC(O)C1(C)C(C(C)(C)O)CC(=O)C2(C)C1CCC1(C)C(c3ccoc3)OC(=O)C3OC312
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
PlantaeRutaceaeCitrus sudachi Ref.
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