CHEBI:203260 - Trichurusin 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 Trichurusin B
ChEBI ID CHEBI:203260
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H40O6
Net Charge 0
Average Mass 436.589
Monoisotopic Mass 436.28249
InChI InChI=1S/C25H40O6/c1-6-17(2)13-19(4)14-20(5)25-22(8-10-24(29)31-25)30-23(28)9-7-18(3)15-21(16-27)11-12-26/h6-7,9,15,19-22,25-27H,8,10-14,16H2,1-5H3/b9-7+,17-6+,18-15+
InChIKey OCXVGVTWMGMEPW-DVYBMHRESA-N
SMILES O=C1OC(C(OC(=O)/C=C/C(=C/C(CO)CCO)/C)CC1)C(CC(C/C(=C/C)/C)C)C
Metabolite of Species Details
Trichurus terrophilus (NCBI:txid644595) See: PubMed
ChEBI Ontology
Outgoing Trichurusin B (CHEBI:203260) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
[2-[(E)-4,6-dimethyloct-6-en-2-yl]-6-oxooxan-3-yl] (2E,4E)-8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate
Manual Xref Database
9353180 ChemSpider
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