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CHEBI:226074 - Elmenol C

ChEBI IDCHEBI:226074
ChEBI NameElmenol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESCOc1cccc2c1[C@@H](OC)O[C@H]2c1c(O)ccc2c1C(=O)CC(C)(O)C2
InChIInChI=1S/C21H22O6/c1-21(24)9-11-7-8-13(22)18(16(11)14(23)10-21)19-12-5-4-6-15(25-2)17(12)20(26-3)27-19/h4-8,19-20,22,24H,9-10H2,1-3H3/t19-,20+,21?/m1/s1
InChIKeyICVWZBRYEUFULN-PDYHCXRVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28074048)
ChEBI Ontology
Outgoing Relation(s)
Elmenol C (CHEBI:226074) is a tetralins (CHEBI:36786)
IUPAC Name 
8-[(1R,3S)-3,4-dimethoxy-1,3-dihydro-2-benzouran-1-yl]-3,7-dihydroxy-3-methyl-2,4-dihydronaphthalen-1-one
Manual XrefsDatabases
78438802ChemSpider