(Q75063697)

English

5-n-heneicosylresorcinol

5-Heneicosyl-1, 3-benzenediol is found in barley. 5-Heneicosyl-1, 3-benzenediol is a constituent of wheat bran.

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic alkylphenol

0 references

mass

404.365430776 dalton

1 reference

C₂₇H₄₈O₂

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canonical SMILES

CCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O

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found in taxon

Apatococcus constipatus

1 reference

stated in

5-n-Alkylresorcinols from the green microalga Apatococcus constipatus

Secale cereale

3 references

stated in

Antimutagenic activity of alkylresorcinols from cereal grains.

stated in

Alkylresorcinols as markers of whole grain wheat and rye in cereal products

stated in

Alkylresorcinols in cereals and cereal products.

Azotobacter vinelandii

1 reference

stated in

5-n-Alkylresorcinols from encysting Azotobacter vinelandii: isolation and characterization

Avena sativa

1 reference

stated in

Contents of phenolic acids, alkyl- and alkenylresorcinols, and avenanthramides in commercial grain products

Hordeum vulgare

2 references

stated in

Alkylresorcinols as markers of whole grain wheat and rye in cereal products

stated in

Alkylresorcinols in cereals and cereal products.

Triticum aestivum

2 references

stated in

Alkylresorcinols as markers of whole grain wheat and rye in cereal products

stated in

Alkylresorcinols in cereals and cereal products.

Triticum durum

1 reference

stated in

Alkylresorcinol Content and Homologue Composition in Durum Wheat (Triticum durum) Kernels and Pasta Products

Azotobacter chroococcum

1 reference

stated in

Phenolic lipid from Azotobacter chroococcum

Triticum

1 reference

stated in

Lipid profiling and analytical discrimination of seven cereals using high temperature gas chromatography coupled to high resolution quadrupole time-of-flight mass spectrometry

Oryza sativa

1 reference

stated in

Alkylresorcinols in cereals and cereal products.

Identifiers

InChI

InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3

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InChIKey

BLHLKJLSYHEOGY-UHFFFAOYSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

155461

language of work or name

1 reference

BLHLKJLSYHEOGY-UHFFFAOYSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=70110-59-7

1 reference

language of work or name

English

ChEBI ID

166655

mapping relation type

exact match

1 reference

stated in

ChEBI release 2021-03-01

1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID50142888

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Human Metabolome Database ID

HMDB0031035

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BLHLKJLSYHEOGY-UHFFFAOYSA-N

Natural Product Atlas ID

NPA001581

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BLHLKJLSYHEOGY-UHFFFAOYSA-N

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

(Q75063697)

5-n-heneicosylresorcinol

Statements

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