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CHEBI:166674 - Emmotin A

ChEBI IDCHEBI:166674
ChEBI NameEmmotin A
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SubmitterMetaboLights
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FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILES[H][C@]1(C(C)(C)O)Cc2c(C)ccc(COC)c2C(=O)[C@@H]1O
InChIInChI=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
InChIKeyGRTATZFIZSZURL-GXTWGEPZSA-N
ChEBI Ontology
Outgoing Relation(s)
Emmotin A (CHEBI:166674) is a tetralins (CHEBI:36786)
IUPAC Name 
(2R,3S)-2-hydroxy-3-(2-hydroxypropan-2-yl)-8-(methoxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
24846691ChemSpider