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CHEBI:226925 - Neomacquarimicin

ChEBI IDCHEBI:226925
ChEBI NameNeomacquarimicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O4
Net Charge0
Average Mass316.397
Monoisotopic Mass316.16746
SMILESC[C@@H]1C[C@@H]2[C@H]3C[C@]45C(=O)O[C@H](C[C@@H]4C[C@H]3C=C[C@@H]2C1=O)C[C@@H]5O
InChIInChI=1S/C19H24O4/c1-9-4-14-13(17(9)21)3-2-10-5-11-6-12-7-16(20)19(11,8-15(10)14)18(22)23-12/h2-3,9-16,20H,4-8H2,1H3/t9-,10-,11+,12-,13+,14+,15+,16+,19+/m1/s1
InChIKeyUACBYKIPCIRCPF-BZQHHJOGSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (24594583)
ChEBI Ontology
Outgoing Relation(s)
Neomacquarimicin (CHEBI:226925) is a organic heterotricyclic compound (CHEBI:26979)
Neomacquarimicin (CHEBI:226925) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,3S,4R,6R,8S,11S,13S,15R,18S)-18-hydroxy-6-methyl-16-oxapentacyclo[13.2.2.01,13.03,11.04,8]nonadec-9-ene-7,17-dione
Manual XrefsDatabases
32674670ChemSpider