Octogen
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-9363-0050c2490048
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 25 catalogue altLabel value(s): 'EDC 24' (grade code), 'HMX 2' (grade code), 'HW 4' (grade code), 'IRX 21' (grade code), 'JO 11C' (grade code), 'JO 9159' (grade code), 'LX 14' (grade code), 'OF 8' (grade code), 'ORA 86B' (grade code), 'PBXC 119' (grade code), 'PBXC 121' (grade code), 'PBXC 126' (grade code), 'PBXC 129' (grade code), 'PBXN 101' (grade code), 'PBXN 110' (grade code), 'PBXN 112' (grade code), 'PBXN 5' (grade code), 'PBXN 9' (grade code), 'PBXW 11' (grade code), 'PBXW 113' (grade code), and 5 more |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=2691-41-0; cc_chebi_agreed_name='Octogen'; object_uuid=fo-3941f7c85dc76ed8 |
| cas_match_labels | 1 | consensus_match | group_key=1,3,5,7-tetranitro-1,3,5,7-tetraazocane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2691-41-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3941f7c85dc76ed8: {'2691-41-0': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2691-41-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_33176']; candidate_pubchem_cids=[17596]; selected_pubchem_cids=[17596]; 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 |
|---|---|---|---|---|---|
| 17,808 | bootstrap_labels | prefLabel | — | [{"@value":"1,3,5,7-tetranitro-1,3,5,7-tetraazocane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 17,809 | bootstrap_labels | name | 1,3,5,7-tetranitro-1,3,5,7-tetraazocane | — | Purged legacy name field to enforce prefLabel usage |
| 17,810 | bootstrap_labels | synonyms | [".beta.-HMX","1,3,5,7-Tetranitro-1,3,5,7-tetraazacyclooctane","1,3,5,7-Tetranitro-[1,3,5,7]tetrazocane","1,3,5,7-Tetra… | [] | Removed legacy synonyms field in favor of structured labels |
| 90,776 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 90,777 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 219,170 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 243,859 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N8O8"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 243,860 | enrich_references | skos_definition | — | [{"@value":"A tetrazocane that is 1,3,5,7-tetrazocane in which the hydrogen atom attached to each of the nitrogens is r… | Merged ChEBI/PubChem definitions into skos:definition |
| 243,861 | enrich_references | references | [] | [{"@id":"beilstein:361386","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['2691-41-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_33176']; candidate_pubchem_cids=[17596]; selected_pubchem_cids=[17596]; 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 |
| 253,122 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N8O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N8O8"]… | rdkit_pre_consensus from 'C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]'; added: monoisotopic_mass |
| 256,725 | chebi_altlabels | altLabel | [] | [{"@value":"1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,456 | consensus_match | prefLabel | [{"@value":"1,3,5,7-tetranitro-1,3,5,7-tetraazocane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"Octogen","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consens… | cas=2691-41-0; cc_chebi_agreed_name='Octogen'; object_uuid=fo-3941f7c85dc76ed8 |
| 258,457 | consensus_match | altLabel | [{"@value":"1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | cas=2691-41-0; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-3941f7c85dc76ed8 |
| 258,458 | consensus_match | altLabel | [{"@value":"1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | group_key=1,3,5,7-tetranitro-1,3,5,7-tetraazocane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2691-41-0; added Common Chemistry CAS names as altLabel: .Beta.-HMX, 1,3,5,7-Tetranitroperhydro-1,3,5,7-tetrazocine, 1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-, Cyclotetramethylenetetranitramine, EDC 24, HMX 2, HW 4, Homocyclonite, IRX 21, JO 11C, JO 9159, JO-X, LX 14, LX 14-0, OF 8, ORA 86B, Octagen, Octahydro-1,3,5,7-tetranitro-<em>s</em>-tetrazocine, Okfol, Oktoflen, Oktogen, PBXC 119, PBXC 121, PBXC 126, PBXC 129, PBXK-C 1203, PBXN 101, PBXN 110, PBXN 112, PBXN 5, PBXN 9, PBXW 11, PBXW 113, PBXW 128, Renowex 1001, Rowanex 2000, Rowanex 3000, SW 21, β-HMX, γ-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine; object_uuid=fo-3941f7c85dc76ed8 |
| 258,459 | consensus_match | cas_match_labels | — | {"2691-41-0":"exactMatch"} | group_key=1,3,5,7-tetranitro-1,3,5,7-tetraazocane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2691-41-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3941f7c85dc76ed8: {'2691-41-0': 'exactMatch'} |
| 278,327 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N8O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N8O8"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane' |
| 285,080 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N8O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N8O8"]… | rdkit_post_consensus from 'O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,848 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Removed 25 catalogue altLabel value(s): 'EDC 24' (grade code), 'HMX 2' (grade code), 'HW 4' (grade code), 'IRX 21' (grade code), 'JO 11C' (grade code), 'JO 9159' (grade code), 'LX 14' (grade code), 'OF 8' (grade code), 'ORA 86B' (grade code), 'PBXC 119' (grade code), 'PBXC 121' (grade code), 'PBXC 126' (grade code), 'PBXC 129' (grade code), 'PBXN 101' (grade code), 'PBXN 110' (grade code), 'PBXN 112' (grade code), 'PBXN 5' (grade code), 'PBXN 9' (grade code), 'PBXW 11' (grade code), 'PBXW 113' (grade code), and 5 more |
| 326,396 | 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 |
| 392,687 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N8O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8N8O8"]… | typed the way the ontology types it |
| 401,281 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/17808 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/17809 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/17810 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/90776 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/90777 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/219170 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/243859 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/243860 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/243861 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/253122 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/256725 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/258456 | prefLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/258457 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/258458 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/258459 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/278327 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/285080 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/290848 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/326396 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/392687 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v20 |
| ef:activity/change/20260822T0600486828500000/401281 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v20 | ef:flow/4d9a8790-3ddd-11dd-9363-0050c2490048/v21 |