Benzyl Isothiocyanate
Everything that changed this flow. Back to the flow
4a1a5721-9d6f-41e8-823a-090247d39285
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 2 catalogue altLabel value(s): 'AB 2' (grade code), 'NSC 118976' (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=benzylisothiocyanate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'622-78-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b632a9625a3b6f07: {'622-78-6': '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 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 agricultural soil |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 210-753-9 from CAS 622-78-6 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['622-78-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17484']; candidate_pubchem_cids=[2346, 98285]; selected_pubchem_cids=[2346]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 20,546 | bootstrap_labels | prefLabel | — | [{"@value":"benzyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 20,547 | bootstrap_labels | name | benzyl isothiocyanate | — | Purged legacy name field to enforce prefLabel usage |
| 20,548 | bootstrap_labels | synonyms | ["(Isothiocyanatomethyl)benzene","AB 2 (VAN)","AB1003147","AC1L1DH3","AC1Q7EX9","AC1Q7EYE","AKOS000212138","BB_SC-6549"… | [] | Removed legacy synonyms field in favor of structured labels |
| 85,266 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 85,267 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 219,988 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,750 | normalize_name_case | prefLabel | [{"@value":"benzyl isothiocyanate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Benzyl 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) |
| 227,049 | ec_cross_check | ec_numbers | [] | ["210-753-9"] | Resolved from EC-inventory: 210-753-9 from CAS 622-78-6 |
| 246,150 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NS"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,151 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,152 | enrich_references | references | [] | [{"@id":"beilstein:386135","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['622-78-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17484']; candidate_pubchem_cids=[2346, 98285]; selected_pubchem_cids=[2346]; 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 |
| 257,015 | chebi_altlabels | altLabel | [] | [{"@value":"(isothiocyanatomethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,196 | consensus_match | altLabel | [{"@value":"(isothiocyanatomethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"(isothiocyanatomethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | group_key=benzylisothiocyanate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=622-78-6; added Common Chemistry CAS names as altLabel: 1-(Isothiocyanatomethyl)benzene, AB 2, Benzene, (isothiocyanatomethyl)-, Benzenemethanesulfenyl isocyanate, Benzyl mustard oil, NSC 118976, Phenylmethyl isothiocyanate, Tromacaps, Tromalyt, Urogran; object_uuid=fo-b632a9625a3b6f07 |
| 264,197 | consensus_match | cas_match_labels | — | {"622-78-6":"exactMatch"} | group_key=benzylisothiocyanate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'622-78-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b632a9625a3b6f07: {'622-78-6': 'exactMatch'} |
| 278,994 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NS"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Benzyl Isothiocyanate' |
| 285,818 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NS"],"… | rdkit_post_consensus from 'S=C=NCc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,343 | strip_catalogue_altlabels | altLabel | [{"@value":"(isothiocyanatomethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"(isothiocyanatomethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Removed 2 catalogue altLabel value(s): 'AB 2' (grade code), 'NSC 118976' (registry code) |
| 323,648 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4a1a5721-9d6f-… | associations resolved on the elementary layer |
| 393,376 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NS"],"… | typed the way the ontology types it |
| 402,304 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1554374006150000/20546 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v0 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v1 |
| ef:activity/change/20260821T1554374006150000/20547 | name | ef:agent/bootstrap_labels | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v1 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v2 |
| ef:activity/change/20260821T1554374006150000/20548 | synonyms | ef:agent/bootstrap_labels | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v2 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v3 |
| ef:activity/change/20260821T1554374006150000/85266 | context | ef:agent/default_context_mapping | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v3 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v4 |
| ef:activity/change/20260821T1554374006150000/85267 | context_iri | ef:agent/default_context_mapping | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v4 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v5 |
| ef:activity/change/20260821T1554374006150000/219988 | unit_iri | ef:agent/unit_normalization | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v5 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v6 |
| ef:activity/change/20260821T1554374006150000/225750 | prefLabel | ef:agent/normalize_name_case | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v6 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v7 |
| ef:activity/change/20260821T1554374006150000/227049 | ec_numbers | ef:agent/ec_cross_check | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v7 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v8 |
| ef:activity/change/20260821T1554374006150000/246150 | properties | ef:agent/enrich_references | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v8 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v9 |
| ef:activity/change/20260821T1554374006150000/246151 | skos_definition | ef:agent/enrich_references | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v9 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v10 |
| ef:activity/change/20260821T1554374006150000/246152 | references | ef:agent/enrich_references | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v10 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v11 |
| ef:activity/change/20260821T1554374006150000/257015 | altLabel | ef:agent/chebi_altlabels | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v11 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v12 |
| ef:activity/change/20260821T1554374006150000/264196 | altLabel | ef:agent/consensus_match | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v12 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v13 |
| ef:activity/change/20260821T1554374006150000/264197 | cas_match_labels | ef:agent/consensus_match | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v13 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v14 |
| ef:activity/change/20260821T1554374006150000/278994 | properties | ef:agent/opsin_iupac | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v14 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v15 |
| ef:activity/change/20260821T1554374006150000/285818 | properties | ef:agent/rdkit_post_consensus | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v15 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v16 |
| ef:activity/change/20260821T1554374006150000/291343 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v16 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v17 |
| ef:activity/change/20260821T1554374006150000/323648 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v17 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v18 |
| ef:activity/change/20260821T1554374006150000/393376 | properties | ef:agent/normalise_property_values | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v18 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v19 |
| ef:activity/change/20260821T1554374006150000/402304 | types | ef:agent/link_flows_to_their_substance | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v19 | ef:flow/4a1a5721-9d6f-41e8-823a-090247d39285/v20 |