Allyl Isothiocyanate
Everything that changed this flow. Back to the flow
59494cef-c8cd-4ef8-a100-889d2c7c38c4
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 5572' (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=allylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'57-06-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-832d10b5e61078af: {'57-06-7': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['57-06-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_73224']; candidate_pubchem_cids=[5971, 51381253]; selected_pubchem_cids=[5971]; 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 |
|---|---|---|---|---|---|
| 11,180 | bootstrap_labels | prefLabel | — | [{"@value":"allyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 11,181 | bootstrap_labels | name | allyl isothiocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 11,182 | bootstrap_labels | synonyms | ["1-Propene, 3-isothiocyanato-","2-Propenyl isothiocyanate","3-Isothiocyanato-1-propene","3-isothiocyanatoprop-1-ene","… | [] | Removed legacy synonyms field in favor of structured labels |
| 102,860 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 102,861 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 217,045 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,702 | normalize_name_case | prefLabel | [{"@value":"allyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Allyl Isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,817 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5NS"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,818 | enrich_references | skos_definition | — | [{"@value":"An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152°C, it is responsi… | Merged ChEBI/PubChem definitions into skos:definition |
| 237,819 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.165G","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['57-06-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_73224']; candidate_pubchem_cids=[5971, 51381253]; selected_pubchem_cids=[5971]; 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 |
| 255,946 | chebi_altlabels | altLabel | [] | [{"@value":"2-propenyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Added 15 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,670 | consensus_match | altLabel | [{"@value":"2-propenyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2-propenyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | group_key=allylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; cas=57-06-7; added Common Chemistry CAS names as altLabel: 1-Propene, 3-isothiocyanato-, Allyl thioisocyanate, Allylsevenolum, Allyspol, Allyspol 75EC, Carbospol, Isothiocyanic acid, allyl ester, NSC 5572, Redskin, Senfoel, Wasaouro, Wasaouro EXT; object_uuid=fo-832d10b5e61078af |
| 263,671 | consensus_match | cas_match_labels | — | {"57-06-7":"exactMatch"} | group_key=allylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'57-06-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-832d10b5e61078af: {'57-06-7': 'exactMatch'} |
| 276,553 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5NS"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Allyl Isothiocyanate' |
| 283,169 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5NS"],"… | rdkit_post_consensus from 'C=CCN=C=S'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,570 | strip_catalogue_altlabels | altLabel | [{"@value":"2-propenyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2-propenyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Removed 1 catalogue altLabel value(s): 'NSC 5572' (registry code) |
| 332,427 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/59494cef-c8cd-… | associations resolved on the elementary layer |
| 390,908 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5NS"],"… | typed the way the ontology types it |
| 398,724 | 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/20260821T1554374006150000/11180 | prefLabel | ef:agent/bootstrap_labels | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v0 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v1 |
| ef:activity/change/20260821T1554374006150000/11181 | name | ef:agent/bootstrap_labels | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v1 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v2 |
| ef:activity/change/20260821T1554374006150000/11182 | synonyms | ef:agent/bootstrap_labels | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v2 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v3 |
| ef:activity/change/20260821T1554374006150000/102860 | context | ef:agent/default_context_mapping | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v3 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v4 |
| ef:activity/change/20260821T1554374006150000/102861 | context_iri | ef:agent/default_context_mapping | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v4 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v5 |
| ef:activity/change/20260821T1554374006150000/217045 | unit_iri | ef:agent/unit_normalization | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v5 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v6 |
| ef:activity/change/20260821T1554374006150000/223702 | prefLabel | ef:agent/normalize_name_case | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v6 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v7 |
| ef:activity/change/20260821T1554374006150000/237817 | properties | ef:agent/enrich_references | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v7 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v8 |
| ef:activity/change/20260821T1554374006150000/237818 | skos_definition | ef:agent/enrich_references | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v8 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v9 |
| ef:activity/change/20260821T1554374006150000/237819 | references | ef:agent/enrich_references | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v9 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v10 |
| ef:activity/change/20260821T1554374006150000/255946 | altLabel | ef:agent/chebi_altlabels | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v10 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v11 |
| ef:activity/change/20260821T1554374006150000/263670 | altLabel | ef:agent/consensus_match | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v11 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v12 |
| ef:activity/change/20260821T1554374006150000/263671 | cas_match_labels | ef:agent/consensus_match | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v12 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v13 |
| ef:activity/change/20260821T1554374006150000/276553 | properties | ef:agent/opsin_iupac | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v13 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v14 |
| ef:activity/change/20260821T1554374006150000/283169 | properties | ef:agent/rdkit_post_consensus | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v14 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v15 |
| ef:activity/change/20260821T1554374006150000/289570 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v15 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v16 |
| ef:activity/change/20260821T1554374006150000/332427 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v16 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v17 |
| ef:activity/change/20260821T1554374006150000/390908 | properties | ef:agent/normalise_property_values | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v17 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v18 |
| ef:activity/change/20260821T1554374006150000/398724 | types | ef:agent/link_flows_to_their_substance | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v18 | ef:flow/59494cef-c8cd-4ef8-a100-889d2c7c38c4/v19 |