Isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone
Everything that changed this flow. Back to the flow
47bac783-ac33-4398-beb0-29e160d57c24
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'C.I. 71129' (registry code), 'Euvinyl Maroon 478' (trade name), 'Irgazin Violet 129' (trade name), 'NSC 16842' (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=isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'81-33-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0bcebfeec266df02: {'81-33-4': '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=['81-33-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_52753']; candidate_pubchem_cids=[66475, 10226844, 52953796, 53249739, 53487923]; selected_pubchem_cids=[66475]; 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 |
|---|---|---|---|---|---|
| 4,374 | bootstrap_labels | prefLabel | — | [{"@value":"isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone","@language":"en","source":{… | Bootstrapped prefLabel from legacy name field |
| 4,375 | bootstrap_labels | name | isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone | — | Purged legacy name field to enforce prefLabel usage |
| 4,376 | bootstrap_labels | synonyms | ["organic","perylene-3,4:9,10-tetracarboxydiimide","3,4,9,10-perylenetetracarboxylic3,4:9,10-diimide","3,4,9,10-perylen… | [] | Removed legacy synonyms field in favor of structured labels |
| 83,960 | 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 |
| 83,961 | 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 |
| 214,800 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,099 | normalize_name_case | prefLabel | [{"@value":"isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone","@language":"en","source":{… | [{"@value":"Isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone","@language":"en","source":{… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,386 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H10N2O4… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,387 | enrich_references | skos_definition | — | [{"@value":"The 3,4,9,10-tetracarboxylic diimide derivative of perylene.","@language":"en","provenance":{"prov:wasGener… | Merged ChEBI/PubChem definitions into skos:definition |
| 231,388 | enrich_references | references | [] | [{"@id":"beilstein:358462","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['81-33-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_52753']; candidate_pubchem_cids=[66475, 10226844, 52953796, 53249739, 53487923]; selected_pubchem_cids=[66475]; 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 |
| 249,528 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H10N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H10N2O4… | rdkit_pre_consensus from 'C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)NC7=O)C(=O)NC2=O'; added: monoisotopic_mass |
| 254,928 | chebi_altlabels | altLabel | [] | [{"@value":"3,4,9,10-Perylenetetracarboxylic acid diimide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altl… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,215 | consensus_match | altLabel | [{"@value":"3,4,9,10-Perylenetetracarboxylic acid diimide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altl… | [{"@value":"3,4,9,10-Perylenetetracarboxylic acid diimide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altl… | group_key=isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone||dimension=Environmental > media=Water > water_body=Surface water; cas=81-33-4; added Common Chemistry CAS names as altLabel: 3,4,9,10-Perylenetetracarboxylic 3,4:9,10-diimide, 3,4,9,10-Perylenetetracarboxylic diimide, Anthra[2,1,9-<em>def</em>:6,5,10-<em>d</em>'<em>e</em>'<em>f</em>′]diisoquinoline-1,3,8,10(2<em>H</em>,9<em>H</em>)-tetrone, C.I. 71129, C.I. Pigment Brown 26, C.I. Pigment Violet 29, Euvinyl Maroon 478, Irgazin Violet 129, Lumogen Black FK 4281, Lumogen Black K 0088, NSC 16842, PTCDI, PV-Fast Bordeaux B, Palamid Violet 50-1105, Paliogen Red Violet FM, Paliogen Red Violet K 5011, Paliogen Red Violet K 5411, Perrindo Violet 29, Perrindo Violet 29V4050, Perrindo Violet V 4050, Pigment Violet 29, Pigment Violet 29B, Poly(3,4,9,10-perylentetracarboxylic diimide), Spectrasence Black K 0088; object_uuid=fo-0bcebfeec266df02 |
| 268,216 | consensus_match | cas_match_labels | — | {"81-33-4":"exactMatch"} | group_key=isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'81-33-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0bcebfeec266df02: {'81-33-4': 'exactMatch'} |
| 281,115 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H10N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H10N2O4… | rdkit_post_consensus from 'C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)NC7=O)C(=O)NC2=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,148 | strip_catalogue_altlabels | altLabel | [{"@value":"3,4,9,10-Perylenetetracarboxylic acid diimide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altl… | [{"@value":"3,4,9,10-Perylenetetracarboxylic acid diimide","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altl… | Removed 4 catalogue altLabel value(s): 'C.I. 71129' (registry code), 'Euvinyl Maroon 478' (trade name), 'Irgazin Violet 129' (trade name), 'NSC 16842' (registry code) |
| 322,994 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/47bac783-ac33-… | associations resolved on the elementary layer |
| 388,963 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H10N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H10N2O4… | typed the way the ontology types it |
| 395,920 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/4374 | prefLabel | ef:agent/bootstrap_labels | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v0 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v1 |
| ef:activity/change/20260822T0600486828500000/4375 | name | ef:agent/bootstrap_labels | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v1 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v2 |
| ef:activity/change/20260822T0600486828500000/4376 | synonyms | ef:agent/bootstrap_labels | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v2 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v3 |
| ef:activity/change/20260822T0600486828500000/83960 | context | ef:agent/default_context_mapping | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v3 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v4 |
| ef:activity/change/20260822T0600486828500000/83961 | context_iri | ef:agent/default_context_mapping | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v4 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v5 |
| ef:activity/change/20260822T0600486828500000/214800 | unit_iri | ef:agent/unit_normalization | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v5 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v6 |
| ef:activity/change/20260822T0600486828500000/222099 | prefLabel | ef:agent/normalize_name_case | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v6 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v7 |
| ef:activity/change/20260822T0600486828500000/231386 | properties | ef:agent/enrich_references | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v7 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v8 |
| ef:activity/change/20260822T0600486828500000/231387 | skos_definition | ef:agent/enrich_references | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v8 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v9 |
| ef:activity/change/20260822T0600486828500000/231388 | references | ef:agent/enrich_references | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v9 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v10 |
| ef:activity/change/20260822T0600486828500000/249528 | properties | ef:agent/rdkit_pre_consensus | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v10 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v11 |
| ef:activity/change/20260822T0600486828500000/254928 | altLabel | ef:agent/chebi_altlabels | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v11 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v12 |
| ef:activity/change/20260822T0600486828500000/268215 | altLabel | ef:agent/consensus_match | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v12 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v13 |
| ef:activity/change/20260822T0600486828500000/268216 | cas_match_labels | ef:agent/consensus_match | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v13 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v14 |
| ef:activity/change/20260822T0600486828500000/281115 | properties | ef:agent/rdkit_post_consensus | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v14 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v15 |
| ef:activity/change/20260822T0600486828500000/288148 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v15 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v16 |
| ef:activity/change/20260822T0600486828500000/322994 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v16 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v17 |
| ef:activity/change/20260822T0600486828500000/388963 | properties | ef:agent/normalise_property_values | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v17 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v18 |
| ef:activity/change/20260822T0600486828500000/395920 | types | ef:agent/link_flows_to_their_substance | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v18 | ef:flow/47bac783-ac33-4398-beb0-29e160d57c24/v19 |