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CHEBI:204429 - Macquarimicin B

ChEBI IDCHEBI:204429
ChEBI NameMacquarimicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILESCC(=O)C[C@@H]1C2=C(O)C[C@@H](C[C@H](O)C[C@H]3C=C[C@@H]4C(=O)[C@H](C)C[C@@H]4[C@H]31)OC2=O
InChIInChI=1S/C22H28O6/c1-10-5-16-15(21(10)26)4-3-12-7-13(24)8-14-9-18(25)20(22(27)28-14)17(19(12)16)6-11(2)23/h3-4,10,12-17,19,24-25H,5-9H2,1-2H3/t10-,12-,13-,14-,15+,16+,17+,19+/m1/s1
InChIKeyMLTKAVZDJLQPHH-OKLWPZDHSA-N
Species of MetaboliteComponentSourceComments
Micromonospora chalcea (ncbitaxon:1874) - PubMed (7622430)
ChEBI Ontology
Outgoing Relation(s)
Macquarimicin B (CHEBI:204429) is a pyranone (CHEBI:37963)
IUPAC Name 
(2S,3S,4R,6R,8S,11S,13R,15R)-13,18-dihydroxy-6-methyl-2-(2-oxopropyl)-16-oxatetracyclo[13.2.2.03,11.04,8]nonadeca-1(18),9-diene-7,17-dione
Manual XrefsDatabases
78439683ChemSpider