input word = C00019964

Metabolite InformationStructural formula
Name trans-O-Methylgrandmarin
Formula C16H18O6
Mw 306.11033831
CAS RN 124888-94-4
C_ID C00019964 ,
InChIKey NACAFQOYZHTCHZ-PVRQQBJHNA-N
InChICode InChI=1S/C16H18O6/c1-16(2)15(18)14(20-4)12-10(22-16)7-9(19-3)8-5-6-11(17)21-13(8)12/h5-7,14-15,18H,1-4H3/t14-,15+/m0/s1
SMILES COc1cc2c(c3oc(=O)ccc13)[C@H](OC)[C@@H](O)C(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sp. Ref.
PlantaeRutaceaeCitrus unshiu Ref.
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OrganismCitrus unshiu
ReferenceIto, C. et al., Chem. Pharm. Bull., 1988, 36, 3805

1989, 37, 2217

1990, 38, 2586