5-hydroxymethyl-2-furaldehyde
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Formula: C6H6O3
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Molecular weight: 126.11
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Smiles: C1=C(OC(=C1)C=O)CO
5-hydroxymethyl-2-furaldehyde
Names
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Mycotoxin name: 5-hydroxymethyl-2-furaldehyde
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First synonym: 5-hydroxymethylfurfural
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Synonyms: 5-HYDROXYMETHYLFURFURAL,67-47-0,5-Hydroxymethyl-2-furaldehyde,5-(hydroxymethyl)furan-2-carbaldehyde,5-(Hydroxymethyl)furfural,5-(Hydroxymethyl)-2-furaldehyde,Hydroxymethylfurfural,5-(Hydroxymethyl)-2-furfural,5-Oxymethylfurfurole,5-Hydroxymethylfuraldehyde,Hydroxymethylfurfurole,2-Hydroxymethyl-5-furfural,5-Hydroxymethylfuran-2-aldehyde,Hydroxymethylfurfuraldehyde,Hydroxymethylfurfuralaldehyde,2-Furancarboxaldehyde, 5-(hydroxymethyl)-,5-Hydroxymethyl-2-formylfuran,5-(Hydroxymethyl)-2-furancarbonal,5-(Hydroxymethyl)-2-furfuraldehyde,5-Hydroxymethyl-2-furfural,5-Hydroxymethylfurfuraldehyde,5-(Hyddroxymethyl)furfurole,5-(Hydroxymethyl)-2-furancarboxaldehyde,5-Hydroxymethyl-2-furancarboxaldehyde,5-HYDROXYMETHYL-FURFURAL,HMF,5-HMF,2-Furaldehyde, 5-(hydroxymethyl)-,NSC-40738,CHEBI:412516,5-(Hydroxymethyl)furan-2-aldehyde,5-Hydroxymethyl-2-furancarbaldehyde,Aes-103,UNII-70ETD81LF0,MFCD00003234,NSC 40738,5-(Hydroxymethyl)furfurole,2-formyl-5-hydroxymethylfuran,70ETD81LF0,5-(Hydroxymethyl)-2-formylfuran,5-Hydroxymethyl-furan-2-carbaldehyde,5-hydroxymethyl furfural,DSSTox_CID_10428,DSSTox_RID_78848,DSSTox_GSID_30428,CAS-67-47-0,CCRIS 3160,EINECS 200-654-9,Aes 103,BRN 0110889,5-Hydroxymethyl-2-furfuraldehyde,HSDB 7982,5-methylolfurfural,5-(Hydroxymethyl)furan-2-carboxaldehyde,5-hydromethyl-furfural,5-Hydrxoymethylfurfural,5-formylfurfuryl alcohol,5HMF,5-hydroxy methyl furfural,ACMC-1BG6F,Epitope ID:136033,5-Hydroxymethyl furaldehyde,CBiol_000485,SCHEMBL19176,5-18-01-00130 (Beilstein Handbook Reference),MLS002454379,CHEMBL185885,QSPL 022,DTXSID3030428,GTPL10939,ZINC900788,5-hydroxymethylfuran-2-carbaldehyde,ACN-S003116,BCP31207,CS-D1116,HY-Y0051,NSC40738,Tox21_201892,Tox21_303551,BBL100102,BDBM50487911,GEO-01528,ICCB3_000133,s3772,SBB004259,STL451297,5-Hydroxymethyl-2-furaldehyde, 99%,5-(hydroxymethyl)-2-furfural (HMF),AKOS005166879,AC-1262,CCG-266098,DB12298,GS-3074,MCULE-9029574240,5-(hydroxymethyl)-furan-2-carbaldehyde,NCGC00091513-01,NCGC00091513-02,NCGC00257266-01,NCGC00259441-01,5-(hydroxymethyl)-2-furan-carboxaldehyde,5-(Hydroxymethyl)furfural, >=99%, FG,L782,SMR000393981,ST056380,SY010869,5-(hydroxy methyl) 2-furan-carboxaldehyde,AB0007209,DB-007058,A9037,AM20100616,FT-0600483,H0269,N1335,EN300-82764,5-(Hydroxymethyl)furfural, analytical standard,67H470,Q414606,Q-200545,F2191-0155,Z1741972784,5-(hydroxymethyl)furan-2-carbaldehyde;5-(Hydroxymethyl)furfural
Identifiers / External links
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CAS: 18-01-0,67-47-0,001-02-0,001-03-8
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PubChem CID: 237332
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DSS TOX CID: DTXCID1010428
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ChemSpiderID: 2043905
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ChEMBL: CHEMBL185885,CHEMBL19176
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US FDA (UNII): UNII-70ETD81LF0
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Wikidata (wiki): Q414606
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Chemical Entities of Biological Interest (CHEBI): CHEBI:412516
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CompTox Chemicals Dashboard (DTXSID): DTXSID3030428
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SCHEMBL: SCHEMBL19176
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TOX21 samples 2:Tox21_201892,Tox21_303551
Structure
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Smiles: C1=C(OC(=C1)C=O)CO
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Isomeric smiles: C1=C(OC(=C1)C=O)CO
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Inchi: InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
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Inchikey: NOEGNKMFWQHSLB-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C6H6O3
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Molecular weight: 126.11
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Monoisotopic mass: 126.031694049
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Fungi
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Fungi id Species 636 Monascus pilosus BCRC38072