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CHEBI:217093 - Mucorolactone

ChEBI IDCHEBI:217093
ChEBI NameMucorolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H70O10
Net Charge0
Average Mass710.990
Monoisotopic Mass710.49690
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H]2C=CCCCCC(=O)OC[C@@H]3O[C@@H](O[C@H]1C[C@@H](O)[C@H]2CCCCC)[C@H](O)[C@@H](O)[C@@H]3O
InChIInChI=1S/C40H70O10/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-26-35(43)50-39-30-24-20-17-18-21-25-34(42)47-28-33-36(44)37(45)38(46)40(49-33)48-32(39)27-31(41)29(30)23-19-6-4-2/h20,24,29-33,36-41,44-46H,3-19,21-23,25-28H2,1-2H3/t29-,30+,31+,32-,33-,36+,37-,38+,39-,40+/m0/s1
InChIKeyIUJWQEIXWLMIBP-HGQLJBROSA-N
Species of MetaboliteComponentSourceComments
Mucor (ncbitaxon:4830) - PubMed (29923409)
ChEBI Ontology
Outgoing Relation(s)
Mucorolactone (CHEBI:217093) is a macrolide (CHEBI:25106)
IUPAC Name 
[(1S,3R,4R,5S,6S,7S,17R,18S,19R,21S)-4,5,6,19-tetrahydroxy-10-oxo-18-pentyl-2,9,22-trioxatricyclo[15.3.1.13,7]docos-15-en-21-yl] hexadecanoate