5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic Acid
Everything that changed this flow. Back to the flow
d16722a1-fa33-42b7-8af8-d78adc0b5810
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 8 catalogue altLabel value(s): 'BP 4' (grade code), 'Escalol 577' (trade name), 'MS 40' (grade code), 'NSC 60584' (registry code), 'Seesorb 101S' (trade name), 'Syntase 230' (trade name), 'UV 284' (grade code), 'Viosorb 111' (trade name) |
| 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=5-benzoyl-4-hydroxy-2-methoxybenzenesulfonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4065-45-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6e16bc9f67eb7f77: {'4065-45-6': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['4065-45-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_135312']; candidate_pubchem_cids=[19988, 2840109, 20573941, 22023483, 23674885]; selected_pubchem_cids=[19988]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,534 | bootstrap_labels | prefLabel | — | [{"@value":"5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | Bootstrapped prefLabel from legacy name field |
| 2,535 | bootstrap_labels | name | 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 2,536 | bootstrap_labels | synonyms | ["organic","sulisobenzone","escalol577"] | [] | Removed legacy synonyms field in favor of structured labels |
| 173,892 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 173,893 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 214,184 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,671 | normalize_name_case | prefLabel | [{"@value":"5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | [{"@value":"5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,616 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12O6S"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 229,617 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,618 | enrich_references | references | [] | [{"@id":"drugcentral:3572","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['4065-45-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_135312']; candidate_pubchem_cids=[19988, 2840109, 20573941, 22023483, 23674885]; selected_pubchem_cids=[19988]; 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 |
| 249,019 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12O6S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12O6S"… | rdkit_pre_consensus from 'COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O'; added: monoisotopic_mass |
| 254,665 | chebi_altlabels | altLabel | [] | [{"@value":"benzophenone-4","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,048 | consensus_match | altLabel | [{"@value":"benzophenone-4","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"benzophenone-4","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | group_key=5-benzoyl-4-hydroxy-2-methoxybenzenesulfonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=4065-45-6; added Common Chemistry CAS names as altLabel: 1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy-, 2-Hydroxy-4-methoxy-5-sulfobenzophenone, 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid, 2-Methoxy-4-hydroxy-5-benzoylbenzenesulfonic acid, 3-Benzoyl-4-hydroxy-6-methoxybenzenesulfonic acid, BP 4, Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-, Benzophenone 4, Escalol 577, Kemisorb 11S, MS 40, NSC 60584, Seesorb 101S, Spectra-Sorb UV 284, Sulisobenzone, Sungard, Syntase 230, UV 284, Uval, Uvasorb S 5, Uvinul D 5030, Uvinul MS 40, Viosorb 111; object_uuid=fo-6e16bc9f67eb7f77 |
| 263,049 | consensus_match | cas_match_labels | — | {"4065-45-6":"exactMatch"} | group_key=5-benzoyl-4-hydroxy-2-methoxybenzenesulfonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4065-45-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6e16bc9f67eb7f77: {'4065-45-6': 'exactMatch'} |
| 274,141 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12O6S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12O6S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic Acid' |
| 280,558 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12O6S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12O6S"… | rdkit_post_consensus from 'COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,753 | strip_catalogue_altlabels | altLabel | [{"@value":"benzophenone-4","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"benzophenone-4","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Removed 8 catalogue altLabel value(s): 'BP 4' (grade code), 'Escalol 577' (trade name), 'MS 40' (grade code), 'NSC 60584' (registry code), 'Seesorb 101S' (trade name), 'Syntase 230' (trade name), 'UV 284' (grade code), 'Viosorb 111' (trade name) |
| 367,970 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d16722a1-fa33-… | associations resolved on the elementary layer |
| 388,432 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12O6S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12O6S"… | typed the way the ontology types it |
| 395,164 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1554374006150000/2534 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v0 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v1 |
| ef:activity/change/20260821T1554374006150000/2535 | name | ef:agent/bootstrap_labels | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v1 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v2 |
| ef:activity/change/20260821T1554374006150000/2536 | synonyms | ef:agent/bootstrap_labels | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v2 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v3 |
| ef:activity/change/20260821T1554374006150000/173892 | context | ef:agent/default_context_mapping | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v3 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v4 |
| ef:activity/change/20260821T1554374006150000/173893 | context_iri | ef:agent/default_context_mapping | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v4 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v5 |
| ef:activity/change/20260821T1554374006150000/214184 | unit_iri | ef:agent/unit_normalization | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v5 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v6 |
| ef:activity/change/20260821T1554374006150000/221671 | prefLabel | ef:agent/normalize_name_case | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v6 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v7 |
| ef:activity/change/20260821T1554374006150000/229616 | properties | ef:agent/enrich_references | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v7 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v8 |
| ef:activity/change/20260821T1554374006150000/229617 | skos_definition | ef:agent/enrich_references | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v8 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v9 |
| ef:activity/change/20260821T1554374006150000/229618 | references | ef:agent/enrich_references | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v9 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v10 |
| ef:activity/change/20260821T1554374006150000/249019 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v10 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v11 |
| ef:activity/change/20260821T1554374006150000/254665 | altLabel | ef:agent/chebi_altlabels | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v11 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v12 |
| ef:activity/change/20260821T1554374006150000/263048 | altLabel | ef:agent/consensus_match | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v12 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v13 |
| ef:activity/change/20260821T1554374006150000/263049 | cas_match_labels | ef:agent/consensus_match | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v13 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v14 |
| ef:activity/change/20260821T1554374006150000/274141 | properties | ef:agent/opsin_iupac | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v14 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v15 |
| ef:activity/change/20260821T1554374006150000/280558 | properties | ef:agent/rdkit_post_consensus | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v15 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v16 |
| ef:activity/change/20260821T1554374006150000/287753 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v16 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v17 |
| ef:activity/change/20260821T1554374006150000/367970 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v17 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v18 |
| ef:activity/change/20260821T1554374006150000/388432 | properties | ef:agent/normalise_property_values | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v18 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v19 |
| ef:activity/change/20260821T1554374006150000/395164 | types | ef:agent/link_flows_to_their_substance | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v19 | ef:flow/d16722a1-fa33-42b7-8af8-d78adc0b5810/v20 |