CHEBI:208759 - Terretonin E

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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 Terretonin E
ChEBI ID CHEBI:208759
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32O9
Net Charge 0
Average Mass 488.533
Monoisotopic Mass 488.20463
InChI InChI=1S/C26H32O9/c1-11-9-13-23(5)15(28)10-14(27)22(3,4)17(23)16(29)19(31)25(13,7)26(20(32)34-8)21(33)35-12(2)18(30)24(11,26)6/h12-13,15,28-29H,1,9-10H2,2-8H3/t12-,13-,15+,23+,24-,25+,26-/m1/s1
InChIKey DXIRTOQNEFGTAD-CRPRLYOESA-N
SMILES O=C1O[C@@H](C(=O)[C@@]2([C@]1(C(=O)OC)[C@@]3(C(=O)C(O)=C4C(C(=O)C[C@@H]([C@@]4([C@H]3CC2=C)C)O)(C)C)C)C)C
Metabolite of Species Details
Aspergillus insuetus (NCBI:txid469274) See: PubMed
ChEBI Ontology
Outgoing Terretonin E (CHEBI:208759) is a steroid lactone (CHEBI:26766)
IUPAC Name
methyl (2R,4aS,4bR,10S,10aR,10bR,12aS)-6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-9,10,10b,11-tetrahydronaphtho[1,2-h]isochromene-4a-carboxylate
Manual Xref Database
24624898 ChemSpider
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