input word = C00019882

Metabolite InformationStructural formula
Name trans-Grandmarin isovalerate
Formula C20H24O7
Mw 376.15220312
CAS RN 119139-63-8
C_ID C00019882 ,
InChIKey KULKFALUVSLOHX-ZSFWTHPBNA-N
InChICode InChI=1S/C20H24O7/c1-10(2)8-15(22)26-19-17(23)16-13(27-20(19,3)4)9-12(24-5)11-6-7-14(21)25-18(11)16/h6-7,9-10,17,19,23H,8H2,1-5H3/t17-,19+/m0/s1
SMILES c1(=O)ccc2c(o1)c1c(cc2OC)OC([C@@H]([C@H]1O)OC(=O)CC(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus medica Ref.
PlantaeRutaceaeCitrus sp. Ref.
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OrganismCitrus sp.
ReferenceIto,Chem. Pharm. Bull.,36,(1988),3292