input word = C00013235

Metabolite InformationStructural formula
Name Emmotin A
(2R-trans)-3,4-Dihydro-2-hydroxy-3-(1-hydroxy-1-methylethyl)-8-(methoxymethyl)-5-methyl-1(2H)-naphthalenone
Formula C16H22O4
Mw 278.15180919
CAS RN 53915-44-9
C_ID C00013235 ,
InChIKey GRTATZFIZSZURL-XGJSPVFONA-N
InChICode InChI=1S/C16H22O4/c1-9-5-6-10(8-20-4)13-11(9)7-12(16(2,3)19)14(17)15(13)18/h5-6,12,14,17,19H,7-8H2,1-4H3/t12-,14+/m0/s1
SMILES c12C[C@@H]([C@H](C(=O)c1c(ccc2C)COC)O)C(O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIcacinaceaeEmmotum nitens Ref.
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