CHEBI:209864 - Eutypellenone 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 Eutypellenone B
ChEBI ID CHEBI:209864
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H36O7
Net Charge 0
Average Mass 472.578
Monoisotopic Mass 472.24610
InChI InChI=1S/C27H36O7/c1-8-24(5)9-10-26-12-17-11-19(34-16(4)28)25(6,14-33-23(31)15(2)3)22(27(17,26)32-7)21(30)20(29)18(26)13-24/h8,13,15,17,19,30H,1,9-12,14H2,2-7H3/t17-,19+,24-,25+,26-,27+/m1/s1
InChIKey IMMBKEZORZIMKF-KDSJCIDGSA-N
SMILES O=C1C(O)=C2[C@]([C@@H](OC(=O)C)C[C@H]3[C@@]2(OC)[C@@]4(C1=C[C@](C=C)(CC4)C)C3)(COC(=O)C(C)C)C
Metabolite of Species Details
Eutypellaspecies D-1 (NCBI:txid1689458) See: PubMed
ChEBI Ontology
Outgoing Eutypellenone B (CHEBI:209864) is a cyclohexenones (CHEBI:48953)
IUPAC Name
[(1R,4S,10S,11S,13S,15R)-11-acetyloxy-4-ethenyl-8-hydroxy-15-methoxy-4,10-dimethyl-7-oxo-10-tetracyclo[7.5.1.01,6.013,15]pentadeca-5,8-dienyl]methyl 2-methylpropanoate
Manual Xref Database
78441687 ChemSpider
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