(Q72510491)

English

5-Tricosyl-1,3-benzenediol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic alkylphenol

0 references

mass

432.396730904 dalton

1 reference

C₂₉H₅₂O₂

0 references

canonical SMILES

CCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O

0 references

found in taxon

Apatococcus constipatus

1 reference

stated in

5-n-Alkylresorcinols from the green microalga Apatococcus constipatus

Avena sativa

1 reference

stated in

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

Hordeum vulgare

3 references

stated in

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

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

stated in

Alkylresorcinols in cereals and cereal products.

Secale cereale

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

Oryza sativa

1 reference

stated in

Alkylresorcinols in cereals and cereal products.

Identifiers

InChI

InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3

0 references

InChIKey

OHTBGMREZYLZQD-UHFFFAOYSA-N

0 references

CAS Registry Number

70110-60-0

1 reference

InChIKey

OHTBGMREZYLZQD-UHFFFAOYSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=70110-60-0

PubChem CID

155462

1 reference

matched by identifier from

InChIKey

OHTBGMREZYLZQD-UHFFFAOYSA-N

ChEBI ID

145969

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3

1 reference

1 reference

matched by identifier from

InChIKey

OHTBGMREZYLZQD-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID10142889

0 references

EC number

663-999-8

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.190.256

retrieved

29 December 2019

title

5-tricosylbenzene-1,3-diol (English)

quotation

CAS no.: 70110-60-0 (English)

ECHA Substance Infocard ID

100.190.256

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.190.256

retrieved

29 December 2019

title

5-tricosylbenzene-1,3-diol (English)

quotation

CAS no.: 70110-60-0 (English)

Human Metabolome Database ID

HMDB0038524

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OHTBGMREZYLZQD-UHFFFAOYSA-N

UNII

6AS8F6H2BV

1 reference

matched by identifier from

InChIKey

OHTBGMREZYLZQD-UHFFFAOYSA-N

0 references

1 reference

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

retrieved

30 June 2018

(Q72510491)

5-Tricosyl-1,3-benzenediol

Statements

Identifiers

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