CHEBI:198593 - Trichurusin D

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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 D
ChEBI ID CHEBI:198593
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38O7
Net Charge 0
Average Mass 450.572
Monoisotopic Mass 450.26175
InChI InChI=1S/C25H38O7/c1-16(14-21(15-27)10-11-26)6-8-23(29)31-22-7-9-24(30)32-25(22)19(4)13-17(2)12-18(3)20(5)28/h6-9,14,17,19-22,25-28H,3,10-13,15H2,1-2,4-5H3/b8-6+,16-14+/t17-,19-,20?,21-,22+,25+/m0/s1
InChIKey QRWBFJVOYWUREI-OHSCEGBASA-N
SMILES O=C1O[C@@H]([C@H](OC(=O)/C=C/C(=C/[C@@H](CO)CCO)/C)C=C1)[C@H](C[C@H](CC(=C)C(O)C)C)C
Metabolite of Species Details
Trichurus terrophilus (NCBI:txid644595) See: PubMed
ChEBI Ontology
Outgoing Trichurusin D (CHEBI:198593) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
[(2R,3R)-2-[(2S,4R)-7-hydroxy-4-methyl-6-methylideneoctan-2-yl]-6-oxo-2,3-dihydropyran-3-yl] (2E,4E,6S)-8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate
Manual Xref Database
9926011 ChemSpider
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