Sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate
Everything that changed this flow. Back to the flow
8748f6f4-bbef-4a21-81eb-82cae8230228
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=sodium1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=84057-97-6; added Common Chemistry CAS names as altLabel: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[2-methyl-5-[[(4-methylphenyl)sulfonyl]amino]phenyl]amino]-9,10-dioxo-, monosodium salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[2-methyl-5-[[(4-methylphenyl)sulfonyl]amino]phenyl]amino]-9,10-dioxo-, sodium salt (1:1); object_uuid=fo-5f0b33337cf1cc4b |
| cas_match_labels | 1 | consensus_match | group_key=sodium1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'84057-97-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f0b33337cf1cc4b: {'84057-97-6': '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 air > Emissions to air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['84057-97-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[44144785, 131885758]; selected_pubchem_cids=[131885758]; 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 |
|---|---|---|---|---|---|
| 13,426 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate","@language… | Bootstrapped prefLabel from legacy name field |
| 13,427 | bootstrap_labels | name | sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 13,428 | bootstrap_labels | synonyms | ["organic","sodium1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 130,200 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 130,201 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 217,775 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,202 | normalize_name_case | prefLabel | [{"@value":"sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate","@language… | [{"@value":"Sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate","@language… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,901 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H23N3Na… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,902 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,903 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=84057-97-6","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['84057-97-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[44144785, 131885758]; selected_pubchem_cids=[131885758]; 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 |
| 251,976 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H23N3Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H23N3Na… | rdkit_pre_consensus from 'CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)C)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,675 | consensus_match | altLabel | [] | [{"@value":"2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[2-methyl-5-[[(4-methylphenyl)sulfonyl]amino]phenyl]amin… | group_key=sodium1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=84057-97-6; added Common Chemistry CAS names as altLabel: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[2-methyl-5-[[(4-methylphenyl)sulfonyl]amino]phenyl]amino]-9,10-dioxo-, monosodium salt, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[2-methyl-5-[[(4-methylphenyl)sulfonyl]amino]phenyl]amino]-9,10-dioxo-, sodium salt (1:1); object_uuid=fo-5f0b33337cf1cc4b |
| 271,676 | consensus_match | cas_match_labels | — | {"84057-97-6":"exactMatch"} | group_key=sodium1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'84057-97-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f0b33337cf1cc4b: {'84057-97-6': 'exactMatch'} |
| 277,174 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H23N3Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H23N3Na… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate' |
| 283,835 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H23N3Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H22N3Na… | rdkit_post_consensus from 'Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)c2)cc1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,018 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H22N3Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H22N3Na… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 346,100 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8748f6f4-bbef-… | associations resolved on the elementary layer |
| 399,589 | 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/20260821T1554374006150000/13426 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v0 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v1 |
| ef:activity/change/20260821T1554374006150000/13427 | name | ef:agent/bootstrap_labels | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v1 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v2 |
| ef:activity/change/20260821T1554374006150000/13428 | synonyms | ef:agent/bootstrap_labels | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v2 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v3 |
| ef:activity/change/20260821T1554374006150000/130200 | context | ef:agent/default_context_mapping | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v3 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v4 |
| ef:activity/change/20260821T1554374006150000/130201 | context_iri | ef:agent/default_context_mapping | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v4 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v5 |
| ef:activity/change/20260821T1554374006150000/217775 | unit_iri | ef:agent/unit_normalization | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v5 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v6 |
| ef:activity/change/20260821T1554374006150000/224202 | prefLabel | ef:agent/normalize_name_case | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v6 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v7 |
| ef:activity/change/20260821T1554374006150000/239901 | properties | ef:agent/enrich_references | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v7 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v8 |
| ef:activity/change/20260821T1554374006150000/239902 | skos_definition | ef:agent/enrich_references | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v8 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v9 |
| ef:activity/change/20260821T1554374006150000/239903 | references | ef:agent/enrich_references | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v9 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v10 |
| ef:activity/change/20260821T1554374006150000/251976 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v10 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v11 |
| ef:activity/change/20260821T1554374006150000/271675 | altLabel | ef:agent/consensus_match | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v11 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v12 |
| ef:activity/change/20260821T1554374006150000/271676 | cas_match_labels | ef:agent/consensus_match | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v12 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v13 |
| ef:activity/change/20260821T1554374006150000/277174 | properties | ef:agent/opsin_iupac | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v13 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v14 |
| ef:activity/change/20260821T1554374006150000/283835 | properties | ef:agent/rdkit_post_consensus | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v14 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v15 |
| ef:activity/change/20260821T1554374006150000/287018 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v15 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v16 |
| ef:activity/change/20260821T1554374006150000/346100 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v16 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v17 |
| ef:activity/change/20260821T1554374006150000/399589 | types | ef:agent/link_flows_to_their_substance | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v17 | ef:flow/8748f6f4-bbef-4a21-81eb-82cae8230228/v18 |