FComEx: Hesperidin (PC001085)

Record Information

Version

1.0

Creation date

2018-04-10 11:55:56 UTC

Update date

2018-04-27 10:31:29 UTC

FoodComEx ID

PC001085

FoodDB Record

FDB002680

Chemical Information

Name

Hesperidin

Description

Hesperidin is a flavanone glycoside (flavonoid) found abundantly in citrus fruits. Its aglycone form is called hesperetin.

CAS Number

520-26-3

Structure

MOL SDF PDB SMILES InChI

Synonyms

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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

Showing 1 to 10 of 22 entries

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

Class

Polyphenols

Family