Pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate
Everything that changed this flow. Back to the flow
263551e6-e0b4-4d0e-933f-114bd80da9e5
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. 18220' (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=pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'89157-03-9': []}; assigned CAS labels from group consensus; object_uuid=fo-6bf07ef73edf5e09: {'89157-03-9': '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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['89157-03-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[56843494, 136171109, 137222101]; selected_pubchem_cids=[137222101]; 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 |
|---|---|---|---|---|---|
| 6,196 | bootstrap_labels | prefLabel | — | [{"@value":"pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5… | Bootstrapped prefLabel from legacy name field |
| 6,197 | bootstrap_labels | name | pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonato… | — | Purged legacy name field to enforce prefLabel usage |
| 6,198 | bootstrap_labels | synonyms | ["organic","reaktivrotf52167fw"] | [] | Removed legacy synonyms field in favor of structured labels |
| 61,794 | 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 |
| 61,795 | 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 |
| 215,410 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,525 | normalize_name_case | prefLabel | [{"@value":"pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5… | [{"@value":"Pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,140 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H24ClN7… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,141 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,142 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=89157-03-9","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['89157-03-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[56843494, 136171109, 137222101]; selected_pubchem_cids=[137222101]; 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 |
| 250,035 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H24ClN7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H24ClN7… | rdkit_pre_consensus from 'C1=CC2=C(C=CC(=C2S(=O)(=O)O)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)CCOS(=O)(=O)O)Cl)O)C(=C1)S(=O)(=O)O.[Na].[Na].[Na].[Na].[Na]'; added: molecular_mass, monoisotopic_mass |
| 270,485 | consensus_match | altLabel | [] | [{"@value":"1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-t… | group_key=pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Long-term; cas=89157-03-9; added Common Chemistry CAS names as altLabel: 1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:5), 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, pentasodium salt, C.I. 18220, C.I. Reactive Red 241, Drimarene Red CL 5B, Everzol Red 3BS, Intrajet Magenta VER, Reactive Red 241, Reactive Red 3BS, Reactive Red D 2BF, Rifafix Red 3BN; object_uuid=fo-6bf07ef73edf5e09 |
| 270,486 | consensus_match | cas_match_labels | — | {"89157-03-9":"exactMatch"} | group_key=pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'89157-03-9': []}; assigned CAS labels from group consensus; object_uuid=fo-6bf07ef73edf5e09: {'89157-03-9': 'exactMatch'} |
| 275,172 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H24ClN7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H24ClN7… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:5)' |
| 281,670 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H24ClN7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H19ClN7… | rdkit_post_consensus from 'O=S(=O)([O-])OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])c(N=Nc5ccc6c(S(=O)(=O)[O-])cccc6c5S(=O)(=O)[O-])c(O)c34)n2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,854 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H19ClN7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H19ClN7… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 288,517 | strip_catalogue_altlabels | altLabel | [{"@value":"1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-t… | [{"@value":"1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-t… | Removed 1 catalogue altLabel value(s): 'C.I. 18220' (registry code) |
| 311,916 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/263551e6-e0b4-… | associations resolved on the elementary layer |
| 396,644 | 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/20260822T0600486828500000/6196 | prefLabel | ef:agent/bootstrap_labels | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v0 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v1 |
| ef:activity/change/20260822T0600486828500000/6197 | name | ef:agent/bootstrap_labels | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v1 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v2 |
| ef:activity/change/20260822T0600486828500000/6198 | synonyms | ef:agent/bootstrap_labels | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v2 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v3 |
| ef:activity/change/20260822T0600486828500000/61794 | context | ef:agent/default_context_mapping | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v3 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v4 |
| ef:activity/change/20260822T0600486828500000/61795 | context_iri | ef:agent/default_context_mapping | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v4 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v5 |
| ef:activity/change/20260822T0600486828500000/215410 | unit_iri | ef:agent/unit_normalization | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v5 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v6 |
| ef:activity/change/20260822T0600486828500000/222525 | prefLabel | ef:agent/normalize_name_case | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v6 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v7 |
| ef:activity/change/20260822T0600486828500000/233140 | properties | ef:agent/enrich_references | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v7 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v8 |
| ef:activity/change/20260822T0600486828500000/233141 | skos_definition | ef:agent/enrich_references | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v8 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v9 |
| ef:activity/change/20260822T0600486828500000/233142 | references | ef:agent/enrich_references | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v9 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v10 |
| ef:activity/change/20260822T0600486828500000/250035 | properties | ef:agent/rdkit_pre_consensus | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v10 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v11 |
| ef:activity/change/20260822T0600486828500000/270485 | altLabel | ef:agent/consensus_match | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v11 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v12 |
| ef:activity/change/20260822T0600486828500000/270486 | cas_match_labels | ef:agent/consensus_match | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v12 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v13 |
| ef:activity/change/20260822T0600486828500000/275172 | properties | ef:agent/opsin_iupac | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v13 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v14 |
| ef:activity/change/20260822T0600486828500000/281670 | properties | ef:agent/rdkit_post_consensus | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v14 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v15 |
| ef:activity/change/20260822T0600486828500000/286854 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v15 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v16 |
| ef:activity/change/20260822T0600486828500000/288517 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v16 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v17 |
| ef:activity/change/20260822T0600486828500000/311916 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v17 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v18 |
| ef:activity/change/20260822T0600486828500000/396644 | types | ef:agent/link_flows_to_their_substance | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v18 | ef:flow/263551e6-e0b4-4d0e-933f-114bd80da9e5/v19 |