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CHEBI:222471 - TMC-69

ChEBI IDCHEBI:222471
ChEBI NameTMC-69
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31NO4
Net Charge0
Average Mass421.537
Monoisotopic Mass421.22531
SMILESCCC(C)/C=C/C=C/C=C1\CO[C@@H](c2c(O)c(-c3ccccc3)cn(O)c2=O)[C@H](C)C1
InChIInChI=1S/C26H31NO4/c1-4-18(2)11-7-5-8-12-20-15-19(3)25(31-17-20)23-24(28)22(16-27(30)26(23)29)21-13-9-6-10-14-21/h5-14,16,18-19,25,28,30H,4,15,17H2,1-3H3/b8-5+,11-7+,20-12-/t18?,19-,25-/m1/s1
InChIKeyIXMWFEZJSGIEGP-OGFVGMJFSA-N
Species of MetaboliteComponentSourceComments
Chrysosporium (ncbitaxon:40411) - PubMed (11480885)
ChEBI Ontology
Outgoing Relation(s)
TMC-69 (CHEBI:222471) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
1,4-dihydroxy-3-[(2R,3R,5Z)-3-methyl-5-[(2E,4E)-6-methylocta-2,4-dienylidene]oxan-2-yl]-5-phenylpyridin-2-one
Manual XrefsDatabases
10206593ChemSpider