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CHEBI:228066 - Aperterpene N

ChEBI IDCHEBI:228066
ChEBI NameAperterpene N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILESC=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C(=O)C[C@@]2(C)[C@@]2(C(=O)OC)C(=O)[C@](C)(O)C(=O)[C@@]12C
InChIInChI=1S/C26H34O7/c1-13-11-15-22(4)10-9-16(28)21(2,3)17(22)14(27)12-23(15,5)26(20(31)33-8)19(30)25(7,32)18(29)24(13,26)6/h15,17,32H,1,9-12H2,2-8H3/t15-,17+,22-,23-,24-,25-,26+/m1/s1
InChIKeyAAEFHLQEFDWSRN-LTUMHGGBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.phytol.2019.05.017)
ChEBI Ontology
Outgoing Relation(s)
Aperterpene N (CHEBI:228066) is a oxo steroid (CHEBI:35789)
IUPAC Name 
methyl (5R,8R,9R,10R,13S,14S,16R)-16-hydroxy-4,4,8,10,13,16-hexamethyl-12-methylidene-3,6,15,17-tetraoxo-1,2,5,7,9,11-hexahydrocyclopenta[a]phenanthrene-14-carboxylate