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CHEBI:214068 - Eutypellenoid B

Default Structure
ChEBI IDCHEBI:214068
ChEBI NameEutypellenoid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O8
Net Charge0
Average Mass474.550
Monoisotopic Mass474.22537
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)=C3[C@H]1O
InChIInChI=1S/C26H34O8/c1-7-24(5)8-9-26-17-15(11-33-26)10-16(34-14(4)27)25(6,12-32-23(31)13(2)3)18(17)20(28)21(29)19(26)22(24)30/h7,13,15-16,22,29-30H,1,8-12H2,2-6H3/t15-,16+,22+,24-,25+,26+/m0/s1
InChIKeySMMDNXPJHYVVLM-AQYZIKHESA-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 B (CHEBI:214068) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
[(1R,4R,5S,10R,11R,13R)-11-acetyloxy-4-ethenyl-5,7-dihydroxy-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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