Patulin
fo-2d396488c056a561
Identity
- Type
- Neutral molecule
- CAS
- 149-29-1
- EC
- 205-735-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
27- (2,4-dihydroxy-2H-pyran-3(6H)-ylidene)acetic acid, 3,4-lactone
- (2,4-dihydroxy-2H-pyran-3(6H)-ylidene)acetic acid-3,4-lactone
- 4,6-dihydro-4-hydroxy-2H-furo(3,2-c)pyran-2-one
- 4,6-dihydro-4-hydroxy-2h-furo[3,2-c]pyran-2-one
- 4-hydroxy-4H-furo[3,2-c]pyran-2(6H)-one
- 4H-Furo[3,2-c]pyran-2(6H)-one, 4-hydroxy-
- Acetic acid, (2,4-dihydroxy-2H-pyran-3(6H)-ylidene)-, 3,4-lactone
- Clairformin
- clavacin
- clavatin
- claviform
- claviformin
- DL-Patulin
- expansin
- Expansin (antibiotic)
- expansine
- Gigantin
- Leucopin
- MeSH ID: D010365
- Mycoin
- Mycoin C
- mycoin C3
- mycoine C3
- PAT
- patuline
- Penicidin
- Terinin
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ZRWPUFFVAOMMNM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2 |
| IUPAC name chemrof:IUPAC_name | 4,6-dihydro-4-hydroxy-2H-furo(3,2-c)pyran-2-one |
| Molecular formula chemrof:molecular_formula | C7H6O4 |
| Molecular mass chemrof:molecular_mass | 154.121 |
| Monoisotopic mass chemrof:monoisotopic_mass | 154.026609, 154.02661 |
| SMILES string chemrof:smiles_string | O=C1C=C2C(=CCOC2O)O1 |
Known URLs
30Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=149-29-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74926 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.215 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2021101 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB15586 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=32951 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8120 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL294018 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/95X2BV4W8R | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0034299 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.963G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C16748 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C16748 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00024000 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46476 | enrich_references.pubchem_identifier_url |
| patent | patent:US2417584 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4696 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=031082 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21656641 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22410236 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22988003 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23192667 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23384314 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23416552 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23729413 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23813870 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23870868 | enrich_references.chebi_xrefs |
| reaxys | reaxys:149675 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q414526 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Patulin | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 8c523bf6-060c-4572-b573-3c55c769838c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 80dae855-0135-4772-b0e6-0b5bca9a46a4 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| fb0b4ba8-4de7-4503-b7c8-6bb3b1373152 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| c2be486a-ed0d-4fda-ac45-35f79237e398 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 1f5c8dd4-e048-4dc8-9eba-df2461face63 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| c4e3d2ce-37e3-44f8-a8b2-2cfe6aaf58ea | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 4b48dc91-130a-4161-8ffc-70cc13ec7ed7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| f70f55ce-1823-4d58-9483-97c57995dfd4 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| d5d3a4a5-60a9-4b69-9240-01904410db28 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 75a21b0e-7fe0-4b3d-a9d2-6c22178c3f3f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 474e811f-4f3b-4da0-826a-48c071ce9a90 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| ddd5eb05-8474-498c-a25e-fc64a27b452b | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| bb4b3c1a-56c0-4e5b-921b-da4b17db57f7 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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{
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{
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{
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{
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},
{
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works