loading...| Preferred Name |
esculin |
|
| Synonyms |
7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside Esculin 6,7-Dihydroxycoumarin-6-O-glucoside 7-Hydroxy-6-glucosyloxy-2H-chromene 6,7-Dihydroxycoumarin 6-glucoside 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-cumarin esculetin 6-beta-D-glucoside Esculetin 6-O-glucoside Aesculin Esculoside |
|
| Definitions |
A hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4853 |
|
| charge |
0 |
|
| definition |
A hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. |
|
| formula |
C15H16O9 |
|
| hasDbXref |
CAS:531-75-9 KNApSAcK:C00002472 PMID:23499166 HMDB:HMDB0030820 Wikipedia:Aesculin Reaxys:95387 PMID:22564167 MetaCyc:14461 KEGG:C09264 PMID:23497098 |
|
| hasExactSynonym |
7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside Esculin |
|
| hasOBONamespace |
chebi_ontology |
|
| hasRelatedSynonym |
6,7-Dihydroxycoumarin-6-O-glucoside 7-Hydroxy-6-glucosyloxy-2H-chromene 6,7-Dihydroxycoumarin 6-glucoside 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-cumarin esculetin 6-beta-D-glucoside Esculetin 6-O-glucoside Aesculin Esculoside |
|
| id |
CHEBI:4853 |
|
| inchi |
InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 |
|
| inchikey |
XHCADAYNFIFUHF-TVKJYDDYSA-N |
|
| inSubset | ||
| label |
esculin |
|
| mass |
340.28210 |
|
| monoisotopicmass |
340.07943 |
|
| notation |
CHEBI:4853 |
|
| prefLabel |
esculin |
|
| smiles |
OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O |
|
| subClassOf |