Isobioquercetin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H30O16
Molecular Weight	610.5175
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C(O)=C5)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=FYBMGZSDYDNBFX-KLUVJTJFSA-N

InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,22+,25+,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H30O16
Molecular Weight	610.5175
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:03:12 GMT 2025` Edited by `admin` on `Wed Apr 02 08:03:12 GMT 2025`
Record UNII	AQH62W2UBS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-[[2-O-(6-Deoxy-?-L-mannopyranosyl)-?-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

Preferred Name

English

Isobioquercetin

Common Name

English

4H-1-Benzopyran-4-one, 3-[[2-O-(6-deoxy-?-L-mannopyranosyl)-?-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-

Common Name

English

3-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60151840

Created by admin on Wed Apr 02 08:03:12 GMT 2025 , Edited by admin on Wed Apr 02 08:03:12 GMT 2025

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FDA UNII

AQH62W2UBS

Created by admin on Wed Apr 02 08:03:12 GMT 2025 , Edited by admin on Wed Apr 02 08:03:12 GMT 2025

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CAS

117611-67-3

Created by admin on Wed Apr 02 08:03:12 GMT 2025 , Edited by admin on Wed Apr 02 08:03:12 GMT 2025

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PUBCHEM

5748416

Created by admin on Wed Apr 02 08:03:12 GMT 2025 , Edited by admin on Wed Apr 02 08:03:12 GMT 2025

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