CHEBI:205790 - Trichoether A

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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 Trichoether A
ChEBI ID CHEBI:205790
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O4
Net Charge 0
Average Mass 346.467
Monoisotopic Mass 346.21441
InChI InChI=1S/C21H30O4/c1-4-6-7-8-11-18(14-22)21(16(3)23)25-15-19-17(10-5-2)12-9-13-20(19)24/h4,6-9,11-13,16,21-24H,5,10,14-15H2,1-3H3/b6-4+,8-7+,18-11+/t16-,21+/m0/s1
InChIKey XKIAQQKVGCCNKN-OSNCNPBWSA-N
SMILES O([C@@H](/C(=C/C=C/C=C/C)/CO)[C@@H](O)C)CC1=C(O)C=CC=C1CCC
Metabolite of Species Details
Trichobotrys (NCBI:txid1520156) See: PubMed
ChEBI Ontology
Outgoing Trichoether A (CHEBI:205790) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
(2E,3S,4S)-2-[(2E,4E)-hexa-2,4-dienylidene]-3-[(2-hydroxy-6-propylphenyl)methoxy]pentane-1,4-diol
Manual Xref Database
32033950 ChemSpider
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