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CHEBI:209864 - Eutypellenone B

ChEBI IDCHEBI:209864
ChEBI NameEutypellenone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O7
Net Charge0
Average Mass472.578
Monoisotopic Mass472.24610
SMILESC=C[C@@]1(C)C=C2C(=O)C(O)=C3[C@@]4(OC)[C@H](C[C@H](OC(C)=O)[C@]3(C)COC(=O)C(C)C)C[C@]24CC1
InChIInChI=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
InChIKeyIMMBKEZORZIMKF-KDSJCIDGSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies D-1 (ncbitaxon:1689458) - PubMed (29949353)
ChEBI Ontology
Outgoing Relation(s)
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
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78441687ChemSpider