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CHEBI:224452 - Erythrolide C

Default Structure
ChEBI IDCHEBI:224452
ChEBI NameErythrolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29ClO9
Net Charge0
Average Mass496.940
Monoisotopic Mass496.15001
SMILESC=C1C[C@H]2O[C@@H]2[C@@]2(C)C=CC(=O)[C@@](C)(OC(C)=O)[C@@H]2[C@@H](OC(C)=O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl
InChIInChI=1S/C24H29ClO9/c1-10-9-14-18(32-14)22(5)8-7-15(28)23(6,34-13(4)27)17(22)20(31-12(3)26)24(30)11(2)21(29)33-19(24)16(10)25/h7-8,11,14,16-20,30H,1,9H2,2-6H3/t11-,14+,16-,17+,18-,19-,20+,22-,23+,24-/m0/s1
InChIKeyCORHZFHADRTYDU-HKYAJLFPSA-N
ChEBI Ontology
Outgoing Relation(s)
Erythrolide C (CHEBI:224452) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(1S,2R,4R,7S,8R,11R,12R,13R,14S,15S)-15-acetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-3,9-dioxatetracyclo[12.4.0.02,4.08,12]octadec-17-en-13-yl] acetate
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10474332ChemSpider