Agaritine
Everything that changed this flow. Back to the flow
8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 3 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=agaritine||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'2757-90-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8a5a596d12bf3e3e: {'2757-90-6': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2757-90-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15336']; candidate_pubchem_cids=[17688, 439516, 439517]; selected_pubchem_cids=[439517]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,528 | bootstrap_labels | prefLabel | — | [{"@value":"agaritine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Bootstrapped prefLabel from legacy name field |
| 2,529 | bootstrap_labels | name | agaritine | — | Purged legacy name field to enforce prefLabel usage |
| 2,530 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 132,328 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 132,329 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 214,182 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,669 | normalize_name_case | prefLabel | [{"@value":"agaritine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | [{"@value":"Agaritine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,610 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H17N3O4… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 229,611 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,612 | enrich_references | references | [] | [{"@id":"beilstein:757731","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['2757-90-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15336']; candidate_pubchem_cids=[17688, 439516, 439517]; selected_pubchem_cids=[439517]; 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 |
| 249,017 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H17N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H17N3O4… | rdkit_pre_consensus from 'C1=CC(=CC=C1CO)NNC(=O)CCC(C(=O)O)N'; added: inchi2d_string, monoisotopic_mass |
| 254,663 | chebi_altlabels | altLabel | [] | [{"@value":"(2S)-2-amino-5-{2-[4-(hydroxymethyl)phenyl]hydrazino}-5-oxopentanoic acid","@language":"en","source":{"prov… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,579 | consensus_match | altLabel | [{"@value":"(2S)-2-amino-5-{2-[4-(hydroxymethyl)phenyl]hydrazino}-5-oxopentanoic acid","@language":"en","source":{"prov… | [{"@value":"(2S)-2-amino-5-{2-[4-(hydroxymethyl)phenyl]hydrazino}-5-oxopentanoic acid","@language":"en","source":{"prov… | group_key=agaritine||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=2757-90-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">L</span>-Glutamic acid, 5-[2-[4-(hydroxymethyl)phenyl]hydrazide], Glutamic acid, 5-[2-(α-hydroxy-<em>p</em>-tolyl)hydrazide], <span class="text-smallcaps">L</span>-, β-<em>N</em>-[γ-<span class="text-smallcaps">L</span>(+)-Glutamyl]-4-hydroxymethylphenylhydrazine; object_uuid=fo-8a5a596d12bf3e3e |
| 263,580 | consensus_match | cas_match_labels | — | {"2757-90-6":"exactMatch"} | group_key=agaritine||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'2757-90-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8a5a596d12bf3e3e: {'2757-90-6': 'exactMatch'} |
| 274,139 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H17N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H17N3O4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Agaritine' |
| 280,556 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H17N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H17N3O4… | rdkit_post_consensus from 'N[C@@H](CCC(=O)NNc1ccc(CO)cc1)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,111 | dedupe_altlabels | altLabel | [{"@value":"(2S)-2-amino-5-{2-[4-(hydroxymethyl)phenyl]hydrazino}-5-oxopentanoic acid","@language":"en","source":{"prov… | [{"@value":"(2S)-2-amino-5-{2-[4-(hydroxymethyl)phenyl]hydrazino}-5-oxopentanoic acid","@language":"en","source":{"prov… | Deduplicated altLabel values and removed entries matching prefLabel |
| 347,159 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8ab5f6a0-840d-… | associations resolved on the elementary layer |
| 388,430 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H17N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H17N3O4… | typed the way the ontology types it |
| 395,161 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 395,162 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H17N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H17N3O4… | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260821T1554374006150000/2528 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v0 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v1 |
| ef:activity/change/20260821T1554374006150000/2529 | name | ef:agent/bootstrap_labels | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v1 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v2 |
| ef:activity/change/20260821T1554374006150000/2530 | synonyms | ef:agent/bootstrap_labels | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v2 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v3 |
| ef:activity/change/20260821T1554374006150000/132328 | context | ef:agent/default_context_mapping | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v3 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v4 |
| ef:activity/change/20260821T1554374006150000/132329 | context_iri | ef:agent/default_context_mapping | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v4 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v5 |
| ef:activity/change/20260821T1554374006150000/214182 | unit_iri | ef:agent/unit_normalization | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v5 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v6 |
| ef:activity/change/20260821T1554374006150000/221669 | prefLabel | ef:agent/normalize_name_case | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v6 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v7 |
| ef:activity/change/20260821T1554374006150000/229610 | properties | ef:agent/enrich_references | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v7 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v8 |
| ef:activity/change/20260821T1554374006150000/229611 | skos_definition | ef:agent/enrich_references | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v8 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v9 |
| ef:activity/change/20260821T1554374006150000/229612 | references | ef:agent/enrich_references | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v9 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v10 |
| ef:activity/change/20260821T1554374006150000/249017 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v10 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v11 |
| ef:activity/change/20260821T1554374006150000/254663 | altLabel | ef:agent/chebi_altlabels | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v11 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v12 |
| ef:activity/change/20260821T1554374006150000/263579 | altLabel | ef:agent/consensus_match | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v12 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v13 |
| ef:activity/change/20260821T1554374006150000/263580 | cas_match_labels | ef:agent/consensus_match | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v13 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v14 |
| ef:activity/change/20260821T1554374006150000/274139 | properties | ef:agent/opsin_iupac | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v14 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v15 |
| ef:activity/change/20260821T1554374006150000/280556 | properties | ef:agent/rdkit_post_consensus | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v15 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v16 |
| ef:activity/change/20260821T1554374006150000/292111 | altLabel | ef:agent/dedupe_altlabels | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v16 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v17 |
| ef:activity/change/20260821T1554374006150000/347159 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v17 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v18 |
| ef:activity/change/20260821T1554374006150000/388430 | properties | ef:agent/normalise_property_values | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v18 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v19 |
| ef:activity/change/20260821T1554374006150000/395161 | types | ef:agent/link_flows_to_their_substance | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v19 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v20 |
| ef:activity/change/20260821T1554374006150000/395162 | properties | ef:agent/link_flows_to_their_substance | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v20 | ef:flow/8ab5f6a0-840d-4ddf-8dd2-7c7ff66cb313/v21 |