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CHEBI:224247 - Tetrapetalone A

Default Structure
ChEBI IDCHEBI:224247
ChEBI NameTetrapetalone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33NO7
Net Charge0
Average Mass471.550
Monoisotopic Mass471.22570
SMILESCCC12C=C(C)[C@@H]3[C@H](C)[C@H](O[C@H]4CC[C@@H](O)[C@@H](C)O4)C4=CC(=O)C=C(O1)C43NC(=O)/C(C)=C\2O
InChIInChI=1S/C26H33NO7/c1-6-25-11-12(2)21-13(3)22(33-20-8-7-18(29)15(5)32-20)17-9-16(28)10-19(34-25)26(17,21)27-24(31)14(4)23(25)30/h9-11,13,15,18,20-22,29-30H,6-8H2,1-5H3,(H,27,31)/b23-14+/t13-,15+,18+,20-,21+,22-,25?,26?/m0/s1
InChIKeyQPTGEVJZVKQTAR-PZTGYBFUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/s0040-4039(03)00007-8)
ChEBI Ontology
Outgoing Relation(s)
Tetrapetalone A (CHEBI:224247) is a oxanes (CHEBI:46942)
IUPAC Name 
(4S,5S,6S,15E)-1-ethyl-16-hydroxy-6-[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-3,5,15-trimethyl-17-oxa-13-azatetracyclo[9.5.1.04,12.07,12]heptadeca-2,7,10,15-tetraene-9,14-dione
Manual XrefsDatabases
78438279ChemSpider