CHEBI:205942 - Bartoloside G

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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 Bartoloside G
ChEBI ID CHEBI:205942
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H63ClO6
Net Charge 0
Average Mass 627.340
Monoisotopic Mass 626.43132
InChI InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
InChIKey LZMVCENJBDTSPS-VFHZWBAFSA-N
SMILES ClC(CCCCCC1=C(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)C=C(CCCCCCCCCCCCC)C=C1O)CCCCCC
Metabolite of Species Details
Synechocystis salina LEGE 06099 (NCBI:txid945781) See: PubMed
ChEBI Ontology
Outgoing Bartoloside G (CHEBI:205942) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3R,4S,5R)-2-[2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy]oxane-3,4,5-triol
Manual Xref Database
58197377 ChemSpider
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