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CHEBI:198715 - 4-O-demethylhypothemycin

ChEBI IDCHEBI:198715
ChEBI Name4-O-demethylhypothemycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O8
Net Charge0
Average Mass364.350
Monoisotopic Mass364.11582
SMILESC[C@H]1C/C=C\C(=O)[C@@H](O)[C@@H](O)C[C@H]2O[C@@H]2c2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H20O8/c1-8-3-2-4-11(20)16(23)13(22)7-14-17(26-14)10-5-9(19)6-12(21)15(10)18(24)25-8/h2,4-6,8,13-14,16-17,19,21-23H,3,7H2,1H3/b4-2-/t8-,13-,14+,16+,17+/m0/s1
InChIKeyTVTWZJGIBKNRLB-WRPUWGFISA-N
Species of MetaboliteComponentSourceComments
Hypomyces (ncbitaxon:5130) - PubMed (17067161)
ChEBI Ontology
Outgoing Relation(s)
4-O-demethylhypothemycin (CHEBI:198715) is a macrolide (CHEBI:25106)
4-O-demethylhypothemycin (CHEBI:198715) is a resorcinols (CHEBI:33572)
IUPAC Name 
(2R,4R,6S,7S,9Z,12S)-6,7,16,18-tetrahydroxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
Manual XrefsDatabases
17250180ChemSpider