Disodium 1-amino-9,10-dioxo-4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-sulfonate
Everything that changed this flow. Back to the flow
9ac7ee52-0beb-413f-992a-e837cd9d6e12
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'C.I. 61200' (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=disodium1-amino-9,10-dioxo-4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'2580-78-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-4fe303b5d4e7d745: {'2580-78-1': '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 air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2580-78-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[17409, 59942564, 131851831, 134303931]; selected_pubchem_cids=[131851831]; 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 |
|---|---|---|---|---|---|
| 13,540 | bootstrap_labels | prefLabel | — | [{"@value":"disodium 1-amino-9,10-dioxo-4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-s… | Bootstrapped prefLabel from legacy name field |
| 13,541 | bootstrap_labels | name | disodium 1-amino-9,10-dioxo-4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 13,542 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 141,762 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 141,763 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 217,812 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,227 | normalize_name_case | prefLabel | [{"@value":"disodium 1-amino-9,10-dioxo-4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-s… | [{"@value":"Disodium 1-amino-9,10-dioxo-4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-s… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,011 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H18N2Na… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,012 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,013 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=2580-78-1","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['2580-78-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[17409, 59942564, 131851831, 134303931]; selected_pubchem_cids=[131851831]; 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 |
| 252,009 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H18N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H18N2Na… | rdkit_pre_consensus from 'C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N.[Na].[Na]'; added: molecular_mass, monoisotopic_mass |
| 266,329 | consensus_match | altLabel | [] | [{"@value":"1-Amino-4-[3-(β-sulfatoethylsulfonyl)anilino]-2-anthraquinonesulfonic acid disodium salt","@language":"en",… | group_key=disodium1-amino-9,10-dioxo-4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=2580-78-1; added Common Chemistry CAS names as altLabel: 1-Amino-4-[3-(β-sulfatoethylsulfonyl)anilino]-2-anthraquinonesulfonic acid disodium salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[<em>m</em>-[(2-hydroxyethyl)sulfonyl]anilino]-9,10-dioxo-, hydrogen sulfate (ester), disodium salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[<em>m</em>-[(2-hydroxyethyl)sulfonyl]anilino]-9,10-dioxo-, hydrogen sulfate, disodium salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-, sodium salt (1:2), 2-Anthraquinonesulfonic acid, 1-amino-4-[<em>m</em>-(2-hydroxyethylsulfonyl)anilino]-, hydrogen sulfate disodium salt, Apollozol Brilliant Blue R, C.I. 61200, C.I. 61200 Reactive Blue 19, C.I. Reactive Blue 19, Cavalite Brilliant Blue R, Celmazol Brilliant Blue R, Diamira Brilliant Blue R, Diamira Brilliant Blue R-KN, Doractiv Blue WRL, Drimarene Blue CL-BR, Everfix Brilliant Blue R, Everzol Brilliant Blue R, Helaktyn Blue R, Intracon Brilliant Blue VS-RW, Intracron Brilliant Blue VS-R, KN-R, KNR, Megafix Reactive Blue B-RV, Ostazin Blue V-R, Ostazin Brilliant Blue VR, Primazin Brilliant Blue RL, Primazine Brilliant Blue RL, Reactive Blue 19, Reactive Blue KN-R, Reactive Blue No. 19, Reactive Blue R, Reactive Brilliant Blue BES, Reactive Brilliant Blue KN-R, Reactive Brilliant Blue RS/P, Reactive Brilliant Red K-NR, Remalan Brilliant Blue R, Remazol Blue R, Remazol Brilliant Blue R, Remazol Brilliant Blue R 19, Remazol Brilliant Blue R Spec, Remazol Brilliant Blue R Special, Remazol Brilliant Blue R-A, Remazol Brilliant Blue R-KN, Remazol Brilliant Blue R-KN Liq 40, Remazol Brilliant Blue RN, Remazol Brilliant Blue RSP, Remazol brilliant blue, Sumifix Brilliant Blue R, Sumifix Brilliant Blue R Special, Sumifix Brilliant Blue R Special Gran, Sumifix Brilliant Blue R Special Liquid, Sumifix Brilliant Blue R(B); object_uuid=fo-4fe303b5d4e7d745 |
| 266,330 | consensus_match | cas_match_labels | — | {"2580-78-1":"exactMatch"} | group_key=disodium1-amino-9,10-dioxo-4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'2580-78-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-4fe303b5d4e7d745: {'2580-78-1': 'exactMatch'} |
| 277,206 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H18N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H18N2Na… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Disodium 1-amino-9,10-dioxo-4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-9,10-dihydroanthracene-2-sulfonate' |
| 283,869 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H18N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H16N2Na… | rdkit_post_consensus from 'Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,023 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H16N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H16N2Na… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 290,036 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Amino-4-[3-(β-sulfatoethylsulfonyl)anilino]-2-anthraquinonesulfonic acid disodium salt","@language":"en",… | [{"@value":"1-Amino-4-[3-(β-sulfatoethylsulfonyl)anilino]-2-anthraquinonesulfonic acid disodium salt","@language":"en",… | Removed 1 catalogue altLabel value(s): 'C.I. 61200' (registry code) |
| 351,882 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9ac7ee52-0beb-… | associations resolved on the elementary layer |
| 399,641 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260822T0600486828500000/13540 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v0 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v1 |
| ef:activity/change/20260822T0600486828500000/13541 | name | ef:agent/bootstrap_labels | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v1 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v2 |
| ef:activity/change/20260822T0600486828500000/13542 | synonyms | ef:agent/bootstrap_labels | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v2 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v3 |
| ef:activity/change/20260822T0600486828500000/141762 | context | ef:agent/default_context_mapping | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v3 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v4 |
| ef:activity/change/20260822T0600486828500000/141763 | context_iri | ef:agent/default_context_mapping | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v4 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v5 |
| ef:activity/change/20260822T0600486828500000/217812 | unit_iri | ef:agent/unit_normalization | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v5 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v6 |
| ef:activity/change/20260822T0600486828500000/224227 | prefLabel | ef:agent/normalize_name_case | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v6 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v7 |
| ef:activity/change/20260822T0600486828500000/240011 | properties | ef:agent/enrich_references | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v7 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v8 |
| ef:activity/change/20260822T0600486828500000/240012 | skos_definition | ef:agent/enrich_references | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v8 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v9 |
| ef:activity/change/20260822T0600486828500000/240013 | references | ef:agent/enrich_references | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v9 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v10 |
| ef:activity/change/20260822T0600486828500000/252009 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v10 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v11 |
| ef:activity/change/20260822T0600486828500000/266329 | altLabel | ef:agent/consensus_match | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v11 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v12 |
| ef:activity/change/20260822T0600486828500000/266330 | cas_match_labels | ef:agent/consensus_match | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v12 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v13 |
| ef:activity/change/20260822T0600486828500000/277206 | properties | ef:agent/opsin_iupac | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v13 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v14 |
| ef:activity/change/20260822T0600486828500000/283869 | properties | ef:agent/rdkit_post_consensus | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v14 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v15 |
| ef:activity/change/20260822T0600486828500000/287023 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v15 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v16 |
| ef:activity/change/20260822T0600486828500000/290036 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v16 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v17 |
| ef:activity/change/20260822T0600486828500000/351882 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v17 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v18 |
| ef:activity/change/20260822T0600486828500000/399641 | types | ef:agent/link_flows_to_their_substance | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v18 | ef:flow/9ac7ee52-0beb-413f-992a-e837cd9d6e12/v19 |