CHEBI:217774 - Eupeniacetal 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 Eupeniacetal B
ChEBI ID CHEBI:217774
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H34O8
Net Charge 0
Average Mass 474.550
Monoisotopic Mass 474.22537
InChI InChI=1S/C26H34O8/c1-13(2)14-8-10-24(4)15(23(14,3)11-9-16(27)28)12-25(5)18-17(24)19(29)33-20(18)34-26(6,21(25)30)22(31)32-7/h8,15,17-18,20H,1,9-12H2,2-7H3,(H,27,28)/t15-,17-,18+,20+,23+,24-,25+,26-/m0/s1
InChIKey VDWXQORXQJDRNE-QLFZNQPDSA-N
SMILES O=C1[C@](O[C@H]2OC([C@@H]3[C@H]2[C@]1(C[C@H]4[C@@](C(C(=C)C)=CC[C@]34C)(CCC(=O)O)C)C)=O)(C(=O)OC)C
Metabolite of Species Details
Penicilliumspecies 6A-9 (NCBI:txid1586111) See: DOI
ChEBI Ontology
Outgoing Eupeniacetal B (CHEBI:217774) is a organic heterotricyclic compound (CHEBI:26979)
Eupeniacetal B (CHEBI:217774) is a organooxygen compound (CHEBI:36963)
IUPAC Name
3-[(1R,2S,6S,7R,9R,11S,13S,16S)-11-methoxycarbonyl-2,6,9,11-tetramethyl-10,15-dioxo-5-prop-1-en-2-yl-12,14-dioxatetracyclo[7.6.1.02,7.013,16]hexadec-4-en-6-yl]propanoic acid
Manual Xref Database
64808907 ChemSpider
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