Preferred Name |
neohesperidin dihydrochalcone |
|
Synonyms |
3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside |
|
Definitions |
A member of the dihydrochalcones that is 3,2',4',6'-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4' via glycosidic linkage. It is found in sweet orange. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_83535 |
|
charge |
0 |
|
database_cross_reference |
Wikipedia:Neohesperidin_dihydrochalcone HMDB:HMDB0030542 PMID:24530446 PMID:24274324 PMID:23562496 Patent:WO2011066754 Reaxys:4285336 Patent:KR20110088743 CAS:20702-77-6 |
|
definition |
A member of the dihydrochalcones that is 3,2',4',6'-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4' via glycosidic linkage. It is found in sweet orange. |
|
formula |
C28H36O15 |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_35703 |
|
has_exact_synonym |
3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside |
|
has_obo_namespace |
chebi_ontology |
|
id |
CHEBI:83535 |
|
in_subset | ||
inchi |
InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 |
|
inchikey |
ITVGXXMINPYUHD-CUVHLRMHSA-N |
|
label |
neohesperidin dihydrochalcone |
|
mass |
612.57640 |
|
monoisotopicmass |
612.20542 |
|
notation |
CHEBI:83535 |
|
prefLabel |
neohesperidin dihydrochalcone |
|
smiles |
COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_71230 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_71230 |