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CHEBI:214074 - Eutypellenoid C

Default Structure
ChEBI IDCHEBI:214074
ChEBI NameEutypellenoid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILESC=C[C@@]1(C)CC[C@@]23OC[C@@H]4C[C@@H](OC(C)=O)[C@@](C)(COC(=O)C(C)C)C(=C42)C(=O)C(O)=C3C1
InChIInChI=1S/C26H34O7/c1-7-24(5)8-9-26-17(11-24)21(28)22(29)20-19(26)16(12-32-26)10-18(33-15(4)27)25(20,6)13-31-23(30)14(2)3/h7,14,16,18,28H,1,8-13H2,2-6H3/t16-,18+,24-,25+,26-/m0/s1
InChIKeyQUCYOIDEPYFKBP-CILJJMGQSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies D-1 (ncbitaxon:1689458) - PubMed (30115869)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Eutypellenoid C (CHEBI:214074) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
[(1R,4S,10R,11R,13R)-11-acetyloxy-4-ethenyl-7-hydroxy-4,10-dimethyl-8-oxo-15-oxatetracyclo[7.6.1.01,6.013,16]hexadeca-6,9(16)-dien-10-yl]methyl 2-methylpropanoate
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78441745ChemSpider