Methyl Isothiocyanate
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-a24f-0050c2490048
By field
14 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): 'WN 12' (grade 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=methylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'556-61-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ba56e997cb26d647: {'556-61-6': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['556-61-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_78337']; candidate_pubchem_cids=[11167, 78203591]; selected_pubchem_cids=[11167]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,070 | bootstrap_labels | prefLabel | — | [{"@value":"methyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 9,071 | bootstrap_labels | name | methyl isothiocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 9,072 | bootstrap_labels | synonyms | ["(Methylimino)(thioxo)methane","AC1L1WRD","AC1Q7EUL","AKOS000119315","BB_SC-5863","Biomet 33","Degussa methyl isothioc… | [] | Removed legacy synonyms field in favor of structured labels |
| 41,238 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 41,239 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 216,362 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,241 | normalize_name_case | prefLabel | [{"@value":"methyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Methyl Isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,868 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NS"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,869 | enrich_references | skos_definition | — | [{"@value":"An isothiocyanate having a methyl group attached to the nitrogen. It is also the active nematicide of the p… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,870 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.295F","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['556-61-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_78337']; candidate_pubchem_cids=[11167, 78203591]; selected_pubchem_cids=[11167]; 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 |
| 255,703 | chebi_altlabels | altLabel | [] | [{"@value":"Methyl mustard","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,878 | consensus_match | altLabel | [{"@value":"Methyl mustard","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"Methyl mustard","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | group_key=methylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; cas=556-61-6; added Common Chemistry CAS names as altLabel: Capparin, Isothiocyanic acid, methyl ester, MIT, MIT (pesticide), Methane, isothiocyanato-, Methyl isothiocyanide, Methyl thioisocyanate, Methylimino(thioxo)methane, Methylisothiocyanate, Morton EP-161E, Trapex, Trapex (soil fumigant), Trapexide, Tropex, WN 12; object_uuid=fo-ba56e997cb26d647 |
| 268,879 | consensus_match | cas_match_labels | — | {"556-61-6":"exactMatch"} | group_key=methylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'556-61-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ba56e997cb26d647: {'556-61-6': 'exactMatch'} |
| 276,016 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NS"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl Isothiocyanate' |
| 282,584 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NS"],"… | rdkit_post_consensus from 'CN=C=S'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,179 | strip_catalogue_altlabels | altLabel | [{"@value":"Methyl mustard","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"Methyl mustard","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Removed 1 catalogue altLabel value(s): 'WN 12' (grade code) |
| 301,664 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 390,366 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NS"],"… | typed the way the ontology types it |
| 397,936 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 397,937 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_25491","rdfs:label":"nematicide","http://www.w3.org/2004/02/skos/core#def… | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T0738569779880000/9070 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v1 |
| ef:activity/change/20260820T0738569779880000/9071 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v2 |
| ef:activity/change/20260820T0738569779880000/9072 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v3 |
| ef:activity/change/20260820T0738569779880000/41238 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v4 |
| ef:activity/change/20260820T0738569779880000/41239 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v5 |
| ef:activity/change/20260820T0738569779880000/216362 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v6 |
| ef:activity/change/20260820T0738569779880000/223241 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v7 |
| ef:activity/change/20260820T0738569779880000/235868 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v8 |
| ef:activity/change/20260820T0738569779880000/235869 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v9 |
| ef:activity/change/20260820T0738569779880000/235870 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v10 |
| ef:activity/change/20260820T0738569779880000/255703 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v11 |
| ef:activity/change/20260820T0738569779880000/268878 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v12 |
| ef:activity/change/20260820T0738569779880000/268879 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v13 |
| ef:activity/change/20260820T0738569779880000/276016 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v14 |
| ef:activity/change/20260820T0738569779880000/282584 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v15 |
| ef:activity/change/20260820T0738569779880000/289179 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v16 |
| ef:activity/change/20260820T0738569779880000/301664 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v17 |
| ef:activity/change/20260820T0738569779880000/390366 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v18 |
| ef:activity/change/20260820T0738569779880000/397936 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v19 |
| ef:activity/change/20260820T0738569779880000/397937 | roles | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v19 | ef:flow/08a91e70-3ddc-11dd-a24f-0050c2490048/v20 |