CHEBI:198715 - 4-O-demethylhypothemycin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-O-demethylhypothemycin
ChEBI ID CHEBI:198715
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H20O8
Net Charge 0
Average Mass 364.350
Monoisotopic Mass 364.11582
InChI InChI=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
InChIKey TVTWZJGIBKNRLB-WRPUWGFISA-N
SMILES O=C1O[C@H](CC=CC(=O)[C@@H](O)[C@H](C[C@@H]2[C@@H](C=3C1=C(O)C=C(O)C3)O2)O)C
Metabolite of Species Details
Hypomyces (NCBI:txid5130) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
17250180 ChemSpider
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