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CHEBI:213817 - Phoxalone

ChEBI IDCHEBI:213817
ChEBI NamePhoxalone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O8
Net Charge0
Average Mass424.490
Monoisotopic Mass424.20972
SMILESCOC1[C@@H](O)[C@H](O)[C@H]2OC1(O)CCC(=O)OC(c1ccccc1)[C@H](O)[C@H](C)CC2C
InChIInChI=1S/C22H32O8/c1-12-11-13(2)19-17(25)18(26)21(28-3)22(27,30-19)10-9-15(23)29-20(16(12)24)14-7-5-4-6-8-14/h4-8,12-13,16-21,24-27H,9-11H2,1-3H3/t12-,13?,16-,17+,18+,19+,20?,21?,22?/m1/s1
InChIKeyNZWZEUXOJXVUKT-OJUSXZMHSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (17989927)
ChEBI Ontology
Outgoing Relation(s)
Phoxalone (CHEBI:213817) is a macrolide (CHEBI:25106)
IUPAC Name 
(7R,8R,11S,12S,13S)-1,7,12,13-tetrahydroxy-14-methoxy-8,10-dimethyl-6-phenyl-5,15-dioxabicyclo[9.3.1]pentadecan-4-one
Manual XrefsDatabases
78445606ChemSpider