(Q75069202)

English

2,3,5-Trimethylfuran

2, 3, 5-Trimethylfuran is found in coffee and coffee products. 2, 3, 5-Trimethylfuran is organoleptic compound occurring in coffee arom.

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

110.07316494 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₇H₁₀O

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canonical SMILES

CC1=CC(=C(O1)C)C

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found in taxon

Aspergillus candidus

1 reference

stated in

Species-specific production of microbial volatile organic compounds (MVOC) by airborne fungi from a compost facility.

Identifiers

InChI

InChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h4H,1-3H3

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InChIKey

NJXZFRUNHWKHEC-UHFFFAOYSA-N

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language of work or name

English

stated in

Natural Product Atlas

PubChem CID

517859

language of work or name

1 reference

NJXZFRUNHWKHEC-UHFFFAOYSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=10504-04-8

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language of work or name

English

ChEBI ID

189311

mapping relation type

exact match

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stated in

ChEBI release 2022-06-13

1 reference

1 reference

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

DSSTOX compound identifier

DTXCID0069414

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Human Metabolome Database ID

HMDB0029721

1 reference

based on heuristic

inferred from InChIKey

Natural Product Atlas ID

NPA002957

1 reference

based on heuristic

inferred from InChIKey

(Q75069202)

2,3,5-Trimethylfuran

Statements

Identifiers

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