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

http://purl.obolibrary.org/obo/CHEBI_50505

http://purl.obolibrary.org/obo/CHEBI_78298

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

http://purl.obolibrary.org/obo/chebi#3_STAR

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

http://purl.obolibrary.org/obo/CHEBI_63353

http://purl.obolibrary.org/obo/CHEBI_25495

subClassOf

http://purl.obolibrary.org/obo/CHEBI_71230

http://purl.obolibrary.org/obo/CHEBI_63353

http://purl.obolibrary.org/obo/CHEBI_25495

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