(5-nitro-2-furyl)methylene Diacetate
Everything that changed this flow. Back to the flow
89609a0f-e882-4e69-8e34-ec8dfdcdee6e
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 5411' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=(5-nitro-2-furyl)methylenediacetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'92-55-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-43b74105369cffe3: {'92-55-7': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['92-55-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[7097, 99818, 12213632, 21504785]; selected_pubchem_cids=[7097]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 20,291 | bootstrap_labels | prefLabel | — | [{"@value":"(5-nitro-2-furyl)methylene diacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 20,292 | bootstrap_labels | name | (5-nitro-2-furyl)methylene diacetate | — | Purged legacy name field to enforce prefLabel usage |
| 20,293 | bootstrap_labels | synonyms | ["organic","5-nitrofurfurylidenedi(acetate)"] | [] | Removed legacy synonyms field in favor of structured labels |
| 131,400 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 131,401 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 219,919 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,698 | normalize_name_case | prefLabel | [{"@value":"(5-nitro-2-furyl)methylene diacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"(5-nitro-2-furyl)methylene Diacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,945 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO7"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,946 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,947 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J801J","provenance":{"prov:wasGeneratedBy":"enrich_references.… | Added references with provenance; cas_numbers=['92-55-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[7097, 99818, 12213632, 21504785]; selected_pubchem_cids=[7097]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 253,731 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO7"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO7"],… | rdkit_pre_consensus from 'CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C'; added: molecular_mass, monoisotopic_mass |
| 257,799 | consensus_match | altLabel | [] | [{"@value":"(Acetyloxy)(5-nitro-2-furyl)methyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | group_key=(5-nitro-2-furyl)methylenediacetate||dimension=Environmental > media=Air > indoor=Unknown; cas=92-55-7; added Common Chemistry CAS names as altLabel: (Acetyloxy)(5-nitro-2-furyl)methyl acetate, (Acetyloxy)(5-nitrofuran-2-yl)methyl acetate, 2-(Diacetoxymethyl)-5-nitrofuran, 2-Furanmethanediol, 5-nitro-, diacetate, 5-Nitro-2-furanmethanediol diacetate, 5-Nitro-2-furfurylidene diacetate, 5-Nitrofuraldehyde diacetate, 5-Nitrofurfural diacetate, 5-Nitrofurfurylidene diacetate, Methanediol, (5-nitro-2-furanyl)-, diacetate (ester), Methanediol, 1-(5-nitro-2-furanyl)-, 1,1-diacetate, NSC 5411; object_uuid=fo-43b74105369cffe3 |
| 257,800 | consensus_match | cas_match_labels | — | {"92-55-7":"exactMatch"} | group_key=(5-nitro-2-furyl)methylenediacetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'92-55-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-43b74105369cffe3: {'92-55-7': 'exactMatch'} |
| 278,956 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO7"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO7"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(5-nitro-2-furyl)methylene Diacetate' |
| 285,767 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO7"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO7"],… | rdkit_post_consensus from 'CC(=O)OC(OC(C)=O)c1ccc([N+](=O)[O-])o1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,317 | strip_catalogue_altlabels | altLabel | [{"@value":"(Acetyloxy)(5-nitro-2-furyl)methyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | [{"@value":"(Acetyloxy)(5-nitro-2-furyl)methyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | Removed 1 catalogue altLabel value(s): 'NSC 5411' (registry code) |
| 346,720 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/89609a0f-e882-… | associations resolved on the elementary layer |
| 393,336 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO7"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9NO7"],… | typed the way the ontology types it |
| 402,234 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260820T1416470405690000/20291 | prefLabel | ef:agent/bootstrap_labels | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v0 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v1 |
| ef:activity/change/20260820T1416470405690000/20292 | name | ef:agent/bootstrap_labels | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v1 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v2 |
| ef:activity/change/20260820T1416470405690000/20293 | synonyms | ef:agent/bootstrap_labels | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v2 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v3 |
| ef:activity/change/20260820T1416470405690000/131400 | context | ef:agent/default_context_mapping | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v3 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v4 |
| ef:activity/change/20260820T1416470405690000/131401 | context_iri | ef:agent/default_context_mapping | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v4 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v5 |
| ef:activity/change/20260820T1416470405690000/219919 | unit_iri | ef:agent/unit_normalization | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v5 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v6 |
| ef:activity/change/20260820T1416470405690000/225698 | prefLabel | ef:agent/normalize_name_case | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v6 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v7 |
| ef:activity/change/20260820T1416470405690000/245945 | properties | ef:agent/enrich_references | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v7 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v8 |
| ef:activity/change/20260820T1416470405690000/245946 | skos_definition | ef:agent/enrich_references | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v8 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v9 |
| ef:activity/change/20260820T1416470405690000/245947 | references | ef:agent/enrich_references | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v9 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v10 |
| ef:activity/change/20260820T1416470405690000/253731 | properties | ef:agent/rdkit_pre_consensus | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v10 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v11 |
| ef:activity/change/20260820T1416470405690000/257799 | altLabel | ef:agent/consensus_match | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v11 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v12 |
| ef:activity/change/20260820T1416470405690000/257800 | cas_match_labels | ef:agent/consensus_match | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v12 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v13 |
| ef:activity/change/20260820T1416470405690000/278956 | properties | ef:agent/opsin_iupac | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v13 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v14 |
| ef:activity/change/20260820T1416470405690000/285767 | properties | ef:agent/rdkit_post_consensus | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v14 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v15 |
| ef:activity/change/20260820T1416470405690000/291317 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v15 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v16 |
| ef:activity/change/20260820T1416470405690000/346720 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v16 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v17 |
| ef:activity/change/20260820T1416470405690000/393336 | properties | ef:agent/normalise_property_values | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v17 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v18 |
| ef:activity/change/20260820T1416470405690000/402234 | types | ef:agent/link_flows_to_their_substance | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v18 | ef:flow/89609a0f-e882-4e69-8e34-ec8dfdcdee6e/v19 |