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CHEBI:217182 - Terreuspyridine

ChEBI IDCHEBI:217182
ChEBI NameTerreuspyridine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H39NO8
Net Charge0
Average Mass541.641
Monoisotopic Mass541.26757
SMILESC=C1C[C@H]2[C@]3(C)Cc4cccnc4C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H](C(=O)OC)[C@]1(C)C(=O)[C@](C)(O)C(=O)OC
InChIInChI=1S/C30H39NO8/c1-15-13-17-27(4)14-16-11-10-12-31-21(16)26(2,3)19(27)18(32)22(33)29(17,6)20(23(34)38-8)28(15,5)24(35)30(7,37)25(36)39-9/h10-12,17,19-20,22,33,37H,1,13-14H2,2-9H3/t17-,19+,20-,22+,27-,28+,29-,30-/m0/s1
InChIKeyLHURPOXPWAUUPI-RUOGCKIJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (32841036)
ChEBI Ontology
Outgoing Relation(s)
Terreuspyridine (CHEBI:217182) is a oxo steroid (CHEBI:35789)
IUPAC Name 
methyl (3S,4R,4aS,5S,6aS,12aS,12bS)-5-hydroxy-3-[(2S)-2-hydroxy-3-methoxy-2-methyl-3-oxopropanoyl]-3,4a,7,7,12a-pentamethyl-2-methylidene-6-oxo-1,4,5,6a,12,12b-hexahydronaphtho[1,2-g]quinoline-4-carboxylate