CHEBI:221601 - Podosporin A

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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 Podosporin A
ChEBI ID CHEBI:221601
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H36O5
Net Charge 0
Average Mass 440.580
Monoisotopic Mass 440.25627
InChI InChI=1S/C27H36O5/c1-7-8-19(28)16(3)17-13-20(29)18-14-26(6)15(2)9-10-21-25(4,5)22(30)11-12-27(21,26)32-24(18)23(17)31/h7-8,13,15-16,21-22,30H,9-12,14H2,1-6H3/b8-7+/t15-,16-,21-,22-,26+,27-/m0/s1
InChIKey UNXQMRVMBDHLTF-ITVUFNAPSA-N
SMILES O=C1C=2O[C@]34[C@]([C@H](CC[C@H]3C([C@@H](O)CC4)(C)C)C)(C)CC2C(=O)C=C1[C@@H](C(=O)/C=C/C)C
Metabolite of Species Details
Podospora (NCBI:txid5144) See: DOI
ChEBI Ontology
Outgoing Podosporin A (CHEBI:221601) is a enone (CHEBI:51689)
IUPAC Name
(1S,10R,11S,14S,16S)-16-hydroxy-10,11,15,15-tetramethyl-5-[(E,2S)-3-oxohex-4-en-2-yl]-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione
Manual Xref Database
75570368 ChemSpider
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