ISOMANGIFERIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H18O11
Molecular Weight	422.3396
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=C(O)C=C(O)C3=C2OC4=C(C=C(O)C(O)=C4)C3=O

InChI

InChIKey=CDYBOKJASDEORM-HBVDJMOISA-N

InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2/t11-,15-,16+,17-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H18O11
Molecular Weight	422.3396
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:09:12 UTC 2023` Edited by `admin` on `Sat Dec 16 11:09:12 UTC 2023`
Record UNII	JJ747C4BW7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOMANGIFERIN

Common Name

English

9H-Xanthen-9-one, 4-β-D-glucopyranosyl-1,3,6,7-tetrahydroxy-

Systematic Name

English

1,3,6,7-Tetrahydroxy-4-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one

Systematic Name

English

4-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one

Systematic Name

English

4-C-Glucosyl-1,3,6,7-tetrahydroxyxanthone

Common Name

English

Code System Code Type Description

FDA UNII

JJ747C4BW7

Created by admin on Sat Dec 16 11:09:13 UTC 2023 , Edited by admin on Sat Dec 16 11:09:13 UTC 2023

PRIMARY

CAS

24699-16-9

Created by admin on Sat Dec 16 11:09:13 UTC 2023 , Edited by admin on Sat Dec 16 11:09:13 UTC 2023

PRIMARY

EPA CompTox

DTXSID30179435

Created by admin on Sat Dec 16 11:09:13 UTC 2023 , Edited by admin on Sat Dec 16 11:09:13 UTC 2023

PRIMARY

PUBCHEM

5318597

Created by admin on Sat Dec 16 11:09:13 UTC 2023 , Edited by admin on Sat Dec 16 11:09:13 UTC 2023

PRIMARY

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