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CHEBI:226079 - Elmenol E

ChEBI IDCHEBI:226079
ChEBI NameElmenol E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O5
Net Charge0
Average Mass350.370
Monoisotopic Mass350.11542
SMILESCOc1cccc2c1[C@H](OC)OC21Oc2cc(C)cc3ccc(O)c1c23
InChIInChI=1S/C21H18O5/c1-11-9-12-7-8-14(22)19-17(12)16(10-11)25-21(19)13-5-4-6-15(23-2)18(13)20(24-3)26-21/h4-10,20,22H,1-3H3/t20-,21?/m1/s1
InChIKeyCDINCUXIOCIGMM-VQCQRNETSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28074048)
ChEBI Ontology
Outgoing Relation(s)
Elmenol E (CHEBI:226079) is a naphthols (CHEBI:25392)
IUPAC Name 
(1R)-1,7-dimethoxy-10'-methylspiro[1H-2-benzouran-3,3'-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene]-5'-ol
Manual XrefsDatabases
78438803ChemSpider