Methoxsalen
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-93e5-0050c2490048
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 1 catalogue altLabel value(s): 'NSC 45923' (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=methoxsalen||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'298-81-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-63f13ecfaff48b5e: {'298-81-7': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['298-81-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18358']; candidate_pubchem_cids=[4114, 40427038, 75125731]; selected_pubchem_cids=[4114]; 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 |
|---|---|---|---|---|---|
| 3,563 | bootstrap_labels | prefLabel | — | [{"@value":"methoxsalen","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Bootstrapped prefLabel from legacy name field |
| 3,564 | bootstrap_labels | name | methoxsalen | — | Purged legacy name field to enforce prefLabel usage |
| 3,565 | bootstrap_labels | synonyms | ["5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone","5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, del… | [] | Removed legacy synonyms field in favor of structured labels |
| 91,036 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 91,037 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 214,528 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,921 | normalize_name_case | prefLabel | [{"@value":"methoxsalen","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"Methoxsalen","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,618 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H8O4"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,619 | enrich_references | skos_definition | — | [{"@value":"A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substitut… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,620 | enrich_references | references | [] | [{"@id":"drugcentral:30","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"co… | Added references with provenance; cas_numbers=['298-81-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_18358']; candidate_pubchem_cids=[4114, 40427038, 75125731]; selected_pubchem_cids=[4114]; 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 |
| 249,307 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H8O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H8O4"],… | rdkit_pre_consensus from 'COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2'; added: monoisotopic_mass |
| 254,828 | chebi_altlabels | altLabel | [] | [{"@value":"6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone","@language":"en","source":{"prov:wasGeneratedBy… | Added 20 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,674 | consensus_match | altLabel | [{"@value":"6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone","@language":"en","source":{"prov:wasGeneratedBy… | [{"@value":"6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone","@language":"en","source":{"prov:wasGeneratedBy… | group_key=methoxsalen||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=298-81-7; added Common Chemistry CAS names as altLabel: 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, δ-lactone, 5-Demethoxyisoimpinellin, 7<em>H</em>-Furo[3,2-<em>g</em>][1]benzopyran-7-one, 9-methoxy-, 8-Methoxy-6,7-furanocoumarin, 8-Methoxy[furano-3′,2′:6,7-coumarin], 8-Methoxypsoralene, Ammodin, Ammoidin, Deltapsoralen, Geroxalen, Meladinin, Meladoxen, Methoxa-Dome, Methoxsalene, NSC 45923, New-Meladinin, Oxsoralen Lotion, Oxsoralen-Ultra, Oxypsoralen, Puvalen, Puvamet, Vitpso, Xanthotoxine; object_uuid=fo-63f13ecfaff48b5e |
| 268,675 | consensus_match | cas_match_labels | — | {"298-81-7":"exactMatch"} | group_key=methoxsalen||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'298-81-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-63f13ecfaff48b5e: {'298-81-7': 'exactMatch'} |
| 274,438 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H8O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H8O4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one' |
| 280,875 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H8O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H8O4"],… | rdkit_post_consensus from 'COc1c2occc2cc2ccc(=O)oc12'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,987 | strip_catalogue_altlabels | altLabel | [{"@value":"6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone","@language":"en","source":{"prov:wasGeneratedBy… | [{"@value":"6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone","@language":"en","source":{"prov:wasGeneratedBy… | Removed 1 catalogue altLabel value(s): 'NSC 45923' (registry code) |
| 326,524 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 388,733 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H8O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H8O4"],… | typed the way the ontology types it |
| 395,584 | 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/20260822T0600486828500000/3563 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/3564 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/3565 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/91036 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/91037 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/214528 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/221921 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/230618 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/230619 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/230620 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/249307 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/254828 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/268674 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/268675 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/274438 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/280875 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/287987 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/326524 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/388733 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/395584 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-93e5-0050c2490048/v20 |