CHEBI:205948 - Bartoloside H

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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 H
ChEBI ID CHEBI:205948
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H66Cl2O6
Net Charge 0
Average Mass 689.840
Monoisotopic Mass 688.42365
InChI InChI=1S/C38H66Cl2O6/c1-3-5-7-9-10-11-16-22-31(40)23-17-12-14-20-29-26-33(41)32(25-19-13-18-24-30(39)21-15-8-6-4-2)35(27-29)46-38-37(44)36(43)34(42)28-45-38/h26-27,30-31,34,36-38,41-44H,3-25,28H2,1-2H3/t30?,31?,34-,36+,37-,38+/m1/s1
InChIKey SNZCABRUTZVTFC-KJIMCQFPSA-N
SMILES ClC(CCCCCC1=CC(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)=C(CCCCCC(Cl)CCCCCC)C(=C1)O)CCCCCCCCC
Metabolite of Species Details
Synechocystis salina LEGE 06099 (NCBI:txid945781) See: PubMed
ChEBI Ontology
Outgoing Bartoloside H (CHEBI:205948) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3R,4S,5R)-2-[2-(6-chlorododecyl)-5-(6-chloropentadecyl)-3-hydroxyphenoxy]oxane-3,4,5-triol
Manual Xref Database
58197378 ChemSpider
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