CHEBI:227051 - Sorbicillfuran 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 Sorbicillfuran A
ChEBI ID CHEBI:227051
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24O7
Net Charge 0
Average Mass 364.394
Monoisotopic Mass 364.15220
InChI InChI=1S/C19H24O7/c1-4-5-6-7-11(21)12-13-14-10(8-19(25,9-20)26-14)17(2,15(12)22)16(23)18(13,3)24/h4-7,10,13-14,20-21,24-25H,8-9H2,1-3H3/b5-4+,7-6+,12-11-/t10-,13+,14+,17+,18-,19-/m0/s1
InChIKey RIMUSZPRVFQNFH-CQRUYIBWSA-N
SMILES O=C1/C(=C(\O)/C=C/C=C/C)/[C@H]2[C@@](O)(C)C([C@@]1([C@H]3C[C@@](O)(CO)O[C@@H]23)C)=O
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Sorbicillfuran A (CHEBI:227051) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
(1R,2R,4S,6R,7R,9S,10Z)-4,9-dihydroxy-10-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-4-(hydroxymethyl)-7,9-dimethyl-3-oxatricyclo[5.2.2.02,6]undecane-8,11-dione
Manual Xref Database
81363766 ChemSpider
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