CHEBI:207101 - (2S,3R,4R,5S,6R)-2-(3-heptyl-5-hydroxyphenoxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

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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 (2S,3R,4R,5S,6R)-2-(3-heptyl-5-hydroxyphenoxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
ChEBI ID CHEBI:207101
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O7
Net Charge 0
Average Mass 384.469
Monoisotopic Mass 384.21480
InChI InChI=1S/C20H32O7/c1-3-4-5-6-7-8-13-9-14(22)11-15(10-13)26-20-18(24)17(23)19(25-2)16(12-21)27-20/h9-11,16-24H,3-8,12H2,1-2H3/t16-,17-,18-,19-,20-/m1/s1
InChIKey IMVDVEDFXTVNLD-LASHMREHSA-N
SMILES O1[C@@H](OC2=CC(O)=CC(=C2)CCCCCCC)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)OC
Metabolite of Species Details
Acremoniumspecies BCC 14080 (NCBI:txid523340) See: PubMed
ChEBI Ontology
Outgoing (2S,3R,4R,5S,6R)-2-(3-heptyl-5-hydroxyphenoxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol (CHEBI:207101) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3R,4R,5S,6R)-2-(3-heptyl-5-hydroxyphenoxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
Manual Xref Database
24714656 ChemSpider
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