CHEBI:202233 - Eutypellone B

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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 Eutypellone B
ChEBI ID CHEBI:202233
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O6
Net Charge 0
Average Mass 364.438
Monoisotopic Mass 364.18859
InChI InChI=1S/C20H28O6/c1-5-17(4)9-11(21)13-12(14(17)22)15(23)19(24)20(25)16(2,3)7-6-8-18(13,20)10-26-19/h5,11,14,21-22,24-25H,1,6-10H2,2-4H3/t11-,14-,17+,18+,19-,20-/m1/s1
InChIKey SKVSRCSHPJLAFK-YVSZKCIOSA-N
SMILES O=C1C2=C([C@]34CCCC([C@@]4([C@@]1(OC3)O)O)(C)C)[C@H](O)C[C@@]([C@@H]2O)(C=C)C
Metabolite of Species Details
Eutypella (NCBI:txid140192) See: PubMed
ChEBI Ontology
Outgoing Eutypellone B (CHEBI:202233) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(1R,3R,5R,6S,9S,10R)-5-ethenyl-3,6,9,10-tetrahydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
Manual Xref Database
28289156 ChemSpider
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