CHEBI:217182 - Terreuspyridine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Terreuspyridine
ChEBI ID CHEBI:217182
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H39NO8
Net Charge 0
Average Mass 541.641
Monoisotopic Mass 541.26757
InChI InChI=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
InChIKey LHURPOXPWAUUPI-RUOGCKIJSA-N
SMILES O=C1[C@@H](O)[C@@]2([C@@H](C(=O)OC)[C@@](C(=C)C[C@H]2[C@]3([C@H]1C(C=4N=CC=CC4C3)(C)C)C)(C(=O)[C@](O)(C(=O)OC)C)C)C
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: PubMed
ChEBI Ontology
Outgoing 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