FComEx: Hesperidin (PC000753)

Record Information

Version

1.0

Creation date

2015-10-09 22:32:31 UTC

Update date

2017-01-19 02:36:35 UTC

FoodComEx ID

PC000753

FoodDB Record

FDB002680

Chemical Information

Name

Hesperidin

Description

Found in most citrus fruits and other members of the Rutaceae, also in Mentha longifolia Hesperidin is a flavanone glycoside (flavonoid) (C28H34O15) found abundantly in citrus fruits. Its aglycone form is called hesperetin.

CAS Number

520-26-3

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(2S)-Hesperidin	biospider
(S)-(-)-Hesperidin	biospider
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-	manual
Atripliside B	biospider
Cirantin	db_source
Ciratin	biospider
Cirontin	db_source
Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-a-L-rhamnosyl-D-glucoside) (7ci)	HMDB
Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-alpha-L-rhamnosyl-delta-glucoside) (7ci)	HMDB
Hesper bitabs	HMDB
Hesperetin 7-O-rhamnoglucoside	biospider
Hesperetin 7-O-rutinoside	biospider
Hesperetin 7-rhamnoglucoside	biospider
Hesperetin 7-rutinoside	db_source
Hesperetin-7-rutinoside	HMDB
Hesperetin-rutinoside	HMDB
Hesperidin	db_source
Hesperidin, (2S)-	biospider
Hesperidin, (S)-(-)-	biospider
Hesperidine	HMDB
Hesperidoside	db_source
Hesperitin-7-rhamnoglucoside	HMDB

Chemical Formula

C28H34O15

IUPAC name

(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

InChI Identifier

InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

InChI Key

QUQPHWDTPGMPEX-QJBIFVCTSA-N

Isomeric SMILES

COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O

Average Molecular Weight

610.5606

Monoisotopic Molecular Weight

610.189770418

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents