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CHEBI:207257 - Trichobamide A

ChEBI IDCHEBI:207257
ChEBI NameTrichobamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H41NO5
Net Charge0
Average Mass555.715
Monoisotopic Mass555.29847
SMILESC=C[C@@H]1C=C(C)[C@H]2[C@@H]3[C@H](Oc4ccc(cc4)C[C@]45NC(=O)[C@H](C(=O)[C@@H]13)[C@H]4C(C(C)=O)=CO5)[C@@H]1[C@@H](C)C[C@@H](C)C[C@]12C
InChIInChI=1S/C35H41NO5/c1-7-22-13-19(4)28-26-25(22)31(38)27-30-24(20(5)37)16-40-35(30,36-33(27)39)15-21-8-10-23(11-9-21)41-32(26)29-18(3)12-17(2)14-34(28,29)6/h7-11,13,16-18,22,25-30,32H,1,12,14-15H2,2-6H3,(H,36,39)/t17-,18+,22-,25+,26-,27+,28+,29+,30-,32+,34+,35-/m1/s1
InChIKeyUMGIXANYJQSEDL-SFXIMHOWSA-N
Species of MetaboliteComponentSourceComments
Trichobotrys (ncbitaxon:1520156) - PubMed (30644459)
ChEBI Ontology
Outgoing Relation(s)
Trichobamide A (CHEBI:207257) is a prostanoid (CHEBI:26347)
IUPAC Name 
(1R,8S,9R,10S,12R,14S,15R,18R,19S,21S,22S,28S)-23-acetyl-18-ethenyl-10,12,14,16-tetramethyl-7,25-dioxa-26-azaheptacyclo[19.4.2.23,6.18,15.01,22.09,14.019,28]triaconta-3,5,16,23,29-pentaene-20,27-dione
Manual XrefsDatabases
71103348ChemSpider