Styphnic Acid
Everything that changed this flow. Back to the flow
4e63a78f-8d74-4182-a6f6-1386835a679f
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 36932' (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=styphnicacid||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'82-71-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-534d55ab19ee946e: {'82-71-3': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['82-71-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[6721]; selected_pubchem_cids=[6721]; 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 |
|---|---|---|---|---|---|
| 3,023 | bootstrap_labels | prefLabel | — | [{"@value":"styphnic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 3,024 | bootstrap_labels | name | styphnic acid | — | Purged legacy name field to enforce prefLabel usage |
| 3,025 | bootstrap_labels | synonyms | ["1,3-Benzenediol, 2,4,6-trinitro-","2,4,6-TRINITRORESORCINOL","2,4,6-Trinitro-1,3-benzenediol","2,4,6-trinitrobenzene-… | [] | Removed legacy synonyms field in favor of structured labels |
| 96,516 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 96,517 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 214,348 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,782 | normalize_name_case | prefLabel | [{"@value":"styphnic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Styphnic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,083 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,084 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,085 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.616G","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['82-71-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[6721]; selected_pubchem_cids=[6721]; 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 |
| 249,155 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8"]… | rdkit_pre_consensus from 'C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 272,124 | consensus_match | altLabel | [] | [{"@value":"1,3-Benzenediol, 2,4,6-trinitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=styphnicacid||dimension=Environmental > media=Water > water_body=Ocean; cas=82-71-3; added Common Chemistry CAS names as altLabel: 1,3-Benzenediol, 2,4,6-trinitro-, 1,3-Dihydroxy-2,4,6-trinitrobenzene, 2,4,6-Trinitro-1,3-benzenediol, 2,4,6-Trinitroresorcinol, 2,4-Dihydroxy-1,3,5-trinitrobenzene, 3-Hydroxy-2,4,6-trinitrophenol, NSC 36932, Resorcinol, 2,4,6-trinitro-; object_uuid=fo-534d55ab19ee946e |
| 272,125 | consensus_match | cas_match_labels | — | {"82-71-3":"exactMatch"} | group_key=styphnicacid||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'82-71-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-534d55ab19ee946e: {'82-71-3': 'exactMatch'} |
| 274,271 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Styphnic Acid' |
| 280,700 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8"]… | rdkit_post_consensus from 'O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,848 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Benzenediol, 2,4,6-trinitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | [{"@value":"1,3-Benzenediol, 2,4,6-trinitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | Removed 1 catalogue altLabel value(s): 'NSC 36932' (registry code) |
| 329,256 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4e63a78f-8d74-… | associations resolved on the elementary layer |
| 388,567 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H3N3O8"]… | typed the way the ontology types it |
| 395,361 | 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/20260821T1554374006150000/3023 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v0 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v1 |
| ef:activity/change/20260821T1554374006150000/3024 | name | ef:agent/bootstrap_labels | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v1 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v2 |
| ef:activity/change/20260821T1554374006150000/3025 | synonyms | ef:agent/bootstrap_labels | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v2 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v3 |
| ef:activity/change/20260821T1554374006150000/96516 | context | ef:agent/default_context_mapping | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v3 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v4 |
| ef:activity/change/20260821T1554374006150000/96517 | context_iri | ef:agent/default_context_mapping | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v4 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v5 |
| ef:activity/change/20260821T1554374006150000/214348 | unit_iri | ef:agent/unit_normalization | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v5 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v6 |
| ef:activity/change/20260821T1554374006150000/221782 | prefLabel | ef:agent/normalize_name_case | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v6 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v7 |
| ef:activity/change/20260821T1554374006150000/230083 | properties | ef:agent/enrich_references | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v7 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v8 |
| ef:activity/change/20260821T1554374006150000/230084 | skos_definition | ef:agent/enrich_references | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v8 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v9 |
| ef:activity/change/20260821T1554374006150000/230085 | references | ef:agent/enrich_references | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v9 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v10 |
| ef:activity/change/20260821T1554374006150000/249155 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v10 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v11 |
| ef:activity/change/20260821T1554374006150000/272124 | altLabel | ef:agent/consensus_match | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v11 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v12 |
| ef:activity/change/20260821T1554374006150000/272125 | cas_match_labels | ef:agent/consensus_match | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v12 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v13 |
| ef:activity/change/20260821T1554374006150000/274271 | properties | ef:agent/opsin_iupac | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v13 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v14 |
| ef:activity/change/20260821T1554374006150000/280700 | properties | ef:agent/rdkit_post_consensus | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v14 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v15 |
| ef:activity/change/20260821T1554374006150000/287848 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v15 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v16 |
| ef:activity/change/20260821T1554374006150000/329256 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v16 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v17 |
| ef:activity/change/20260821T1554374006150000/388567 | properties | ef:agent/normalise_property_values | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v17 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v18 |
| ef:activity/change/20260821T1554374006150000/395361 | types | ef:agent/link_flows_to_their_substance | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v18 | ef:flow/4e63a78f-8d74-4182-a6f6-1386835a679f/v19 |