MiMeDB: Showing metabocard for w-hydroxyemodin (MMDBc0020117)

Microbial

Human

Co-metabolite

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 10:04:25 UTC

Update Date

2022-08-27 06:30:59 UTC

Metabolite ID

MMDBc0020117

Metabolite Identification

Common Name

w-hydroxyemodin

Description

Citreorosein belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Thus, citreorosein is considered to be an aromatic polyketide. Citreorosein has been detected, but not quantified in, green vegetables. This could make citreorosein a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Citreorosein.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Omega-hydroxyemodin	Kegg
.omega.-hydroxyemodin	HMDB
1,3,8-Trihydroxy-6-(hydroxymethyl)-9,10-anthracenedione	HMDB
1,3,8-Trihydroxy-6-(hydroxymethyl)anthra-9,10-quinone	HMDB
W-Hydroxyemodin	HMDB
1,3,8-Trihydroxy-6-hydroxymethylanthraquinone	MeSH

Molecular Formula

C₁₅H₁₀O₆

Average Mass

286.2363

Monoisotopic Mass

286.047738052

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2

InChI Key

YQHZABGPIPECSQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Hydroxyanthraquinones

Alternative Parents

Substituents

Hydroxyanthraquinone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Vinylogous acid
Ketone
Polyol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Aromatic alcohol
Primary alcohol
Organooxygen compound
Alcohol
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

hydroxyanthraquinones (CHEBI:81348 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	7		Metabolic reconstruction; Microbial culture
nah	2		Metabolic reconstruction; Microbial culture

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0034444

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Citreorosein

METLIN ID

Not Available

PubChem Compound

361512

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Yannai, Shmuel (2004). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. Boca Raton: Chapman & Hall/CRC..

Showing metabocard for w-hydroxyemodin (MMDBc0020117)

MOL for #<Metabolite:0x00007f8dc800e508>

3D MOL for #<Metabolite:0x00007f8dc800e508>

3D SDF for #<Metabolite:0x00007f8dc800e508>

3D-SDF for #<Metabolite:0x00007f8dc800e508>

PDB for #<Metabolite:0x00007f8dc800e508>

3D PDB for #<Metabolite:0x00007f8dc800e508>

SMILES for #<Metabolite:0x00007f8dc800e508>

INCHI for #<Metabolite:0x00007f8dc800e508>

Structure for #<Metabolite:0x00007f8dc800e508>

3D Structure for #<Metabolite:0x00007f8dc800e508>