Potassium Sodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]
Everything that changed this flow. Back to the flow
f85f256e-dc6f-4ac7-a895-c844b9fb61b7
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=potassiumsodium2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]||dimension=Environmental > media=Water > water_body=Surface water; cas=70942-01-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, potassium sodium salt, Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, potassium sodium salt (1:?:?); object_uuid=fo-a1956f09fbf2ea4a |
| cas_match_labels | 1 | consensus_match | group_key=potassiumsodium2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'70942-01-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a1956f09fbf2ea4a: {'70942-01-7': '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 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=['70942-01-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[6441793, 22833453]; selected_pubchem_cids=[6441793, 22833453]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,205 | bootstrap_labels | prefLabel | — | [{"@value":"potassium sodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amin… | Bootstrapped prefLabel from legacy name field |
| 5,206 | bootstrap_labels | name | potassium sodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesul… | — | Purged legacy name field to enforce prefLabel usage |
| 5,207 | bootstrap_labels | synonyms | ["organic","potassiumsodium4,4'","-bis[6-anilino-4-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2… | [] | Removed legacy synonyms field in favor of structured labels |
| 198,972 | 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 |
| 198,973 | 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 |
| 215,078 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,294 | normalize_name_case | prefLabel | [{"@value":"potassium sodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amin… | [{"@value":"Potassium Sodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amin… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,185 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H42K2N1… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 232,186 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,187 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.068.189","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['70942-01-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[6441793, 22833453]; selected_pubchem_cids=[6441793, 22833453]; 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 |
| 249,753 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H42K2N1… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H42K2N1… | rdkit_pre_consensus from 'C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[K+]'; added: molecular_mass, monoisotopic_mass |
| 270,918 | consensus_match | altLabel | [] | [{"@value":"Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triaz… | group_key=potassiumsodium2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]||dimension=Environmental > media=Water > water_body=Surface water; cas=70942-01-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, potassium sodium salt, Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, potassium sodium salt (1:?:?); object_uuid=fo-a1956f09fbf2ea4a |
| 270,919 | consensus_match | cas_match_labels | — | {"70942-01-7":"exactMatch"} | group_key=potassiumsodium2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'70942-01-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a1956f09fbf2ea4a: {'70942-01-7': 'exactMatch'} |
| 274,892 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H42K2N1… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H42K2N1… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Potassium Sodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]' |
| 281,367 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H42K2N1… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H42K2N1… | rdkit_post_consensus from 'O=S(=O)([O-])c1cc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)ccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-].[K+].[Na+]'; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,825 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H42K2N1… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C40H42K2N1… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 380,520 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f85f256e-dc6f-… | associations resolved on the elementary layer |
| 396,246 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/5205 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v0 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v1 |
| ef:activity/change/20260821T1554374006150000/5206 | name | ef:agent/bootstrap_labels | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v1 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v2 |
| ef:activity/change/20260821T1554374006150000/5207 | synonyms | ef:agent/bootstrap_labels | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v2 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v3 |
| ef:activity/change/20260821T1554374006150000/198972 | context | ef:agent/default_context_mapping | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v3 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v4 |
| ef:activity/change/20260821T1554374006150000/198973 | context_iri | ef:agent/default_context_mapping | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v4 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v5 |
| ef:activity/change/20260821T1554374006150000/215078 | unit_iri | ef:agent/unit_normalization | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v5 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v6 |
| ef:activity/change/20260821T1554374006150000/222294 | prefLabel | ef:agent/normalize_name_case | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v6 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v7 |
| ef:activity/change/20260821T1554374006150000/232185 | properties | ef:agent/enrich_references | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v7 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v8 |
| ef:activity/change/20260821T1554374006150000/232186 | skos_definition | ef:agent/enrich_references | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v8 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v9 |
| ef:activity/change/20260821T1554374006150000/232187 | references | ef:agent/enrich_references | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v9 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v10 |
| ef:activity/change/20260821T1554374006150000/249753 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v10 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v11 |
| ef:activity/change/20260821T1554374006150000/270918 | altLabel | ef:agent/consensus_match | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v11 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v12 |
| ef:activity/change/20260821T1554374006150000/270919 | cas_match_labels | ef:agent/consensus_match | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v12 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v13 |
| ef:activity/change/20260821T1554374006150000/274892 | properties | ef:agent/opsin_iupac | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v13 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v14 |
| ef:activity/change/20260821T1554374006150000/281367 | properties | ef:agent/rdkit_post_consensus | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v14 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v15 |
| ef:activity/change/20260821T1554374006150000/286825 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v15 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v16 |
| ef:activity/change/20260821T1554374006150000/380520 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v16 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v17 |
| ef:activity/change/20260821T1554374006150000/396246 | types | ef:agent/link_flows_to_their_substance | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v17 | ef:flow/f85f256e-dc6f-4ac7-a895-c844b9fb61b7/v18 |