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CHEBI:227595 - Cochlearol N

ChEBI IDCHEBI:227595
ChEBI NameCochlearol N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O7
Net Charge0
Average Mass390.432
Monoisotopic Mass390.16785
SMILESCC1(C)[C@H](O)[C@H](O)C=C2C[C@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC[C@@H]21
InChIInChI=1S/C21H26O7/c1-20(2)14-5-6-21(19(27)28,9-11(14)7-16(24)18(20)26)10-17(25)13-8-12(22)3-4-15(13)23/h3-4,7-8,14,16,18,22-24,26H,5-6,9-10H2,1-2H3,(H,27,28)/t14-,16+,18+,21+/m0/s1
InChIKeyVLKMPIWFTPSHEP-BHNHYPNCSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (30947089)
ChEBI Ontology
Outgoing Relation(s)
Cochlearol N (CHEBI:227595) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(2R,4aS,6S,7R)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6,7-dihydroxy-5,5-dimethyl-1,3,4,4a,6,7-hexahydronaphthalene-2-carboxylic acid