3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl Heptanoate (non-preferred Name)
Everything that changed this flow. Back to the flow
4afaeb2f-0649-495f-9e6b-0e45a4cf0062
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 | 2 | 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=3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propylheptanoate(non-preferredname)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25811-35-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e1e032696d3ac0a8: {'25811-35-2': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['25811-35-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[91402, 117642]; selected_pubchem_cids=[117642]; 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 |
|---|---|---|---|---|---|
| 20,185 | bootstrap_labels | prefLabel | — | [{"@value":"3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name)","@language":"en","sou… | Bootstrapped prefLabel from legacy name field |
| 20,186 | bootstrap_labels | name | 3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name) | — | Purged legacy name field to enforce prefLabel usage |
| 20,187 | bootstrap_labels | synonyms | ["organic","2,2-bis[[(1-oxoheptyl)oxy]methyl]propane-1,3-diylbisheptanoate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 85,724 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 85,725 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 219,884 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,669 | normalize_name_case | prefLabel | [{"@value":"3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name)","@language":"en","sou… | [{"@value":"3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl Heptanoate (non-preferred Name)","@language":"en","sou… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,854 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H60O8"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,855 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,856 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J106.231J","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['25811-35-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[91402, 117642]; selected_pubchem_cids=[117642]; 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 |
| 253,698 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H60O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H60O8"]… | rdkit_pre_consensus from 'CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC'; added: molecular_mass, monoisotopic_mass |
| 261,803 | consensus_match | altLabel | [] | [{"@value":"Heptanoic acid, 1,1′-[2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester","@language":"en","source":{… | group_key=3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propylheptanoate(non-preferredname)||dimension=Environmental > media=Air > indoor=Unknown; cas=25811-35-2; added Common Chemistry CAS names as altLabel: Heptanoic acid, 1,1′-[2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester, Heptanoic acid, 2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester, Heptanoic acid, neopentanetetrayl ester, Pentaerythritol tetra-<em>n</em>-heptanoate, Pentaerythritol tetraenanthate, Pentaerythritol, tetraheptanoate, Pentaerythrityl tetraheptanoate; object_uuid=fo-e1e032696d3ac0a8 |
| 261,804 | consensus_match | cas_match_labels | — | {"25811-35-2":"exactMatch"} | group_key=3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propylheptanoate(non-preferredname)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'25811-35-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e1e032696d3ac0a8: {'25811-35-2': 'exactMatch'} |
| 278,911 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H60O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H60O8"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Pentaerythritol tetra-n-heptanoate' |
| 285,719 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H60O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H60O8"]… | rdkit_post_consensus from 'CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 293,071 | dedupe_altlabels | altLabel | [{"@value":"Heptanoic acid, 1,1′-[2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester","@language":"en","source":{… | [{"@value":"Heptanoic acid, 1,1′-[2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester","@language":"en","source":{… | Deduplicated altLabel values and removed entries matching prefLabel |
| 323,877 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4afaeb2f-0649-… | associations resolved on the elementary layer |
| 393,291 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H60O8"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C33H60O8"]… | typed the way the ontology types it |
| 402,177 | 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/20260821T1554374006150000/20185 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v0 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v1 |
| ef:activity/change/20260821T1554374006150000/20186 | name | ef:agent/bootstrap_labels | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v1 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v2 |
| ef:activity/change/20260821T1554374006150000/20187 | synonyms | ef:agent/bootstrap_labels | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v2 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v3 |
| ef:activity/change/20260821T1554374006150000/85724 | context | ef:agent/default_context_mapping | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v3 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v4 |
| ef:activity/change/20260821T1554374006150000/85725 | context_iri | ef:agent/default_context_mapping | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v4 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v5 |
| ef:activity/change/20260821T1554374006150000/219884 | unit_iri | ef:agent/unit_normalization | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v5 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v6 |
| ef:activity/change/20260821T1554374006150000/225669 | prefLabel | ef:agent/normalize_name_case | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v6 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v7 |
| ef:activity/change/20260821T1554374006150000/245854 | properties | ef:agent/enrich_references | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v7 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v8 |
| ef:activity/change/20260821T1554374006150000/245855 | skos_definition | ef:agent/enrich_references | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v8 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v9 |
| ef:activity/change/20260821T1554374006150000/245856 | references | ef:agent/enrich_references | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v9 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v10 |
| ef:activity/change/20260821T1554374006150000/253698 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v10 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v11 |
| ef:activity/change/20260821T1554374006150000/261803 | altLabel | ef:agent/consensus_match | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v11 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v12 |
| ef:activity/change/20260821T1554374006150000/261804 | cas_match_labels | ef:agent/consensus_match | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v12 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v13 |
| ef:activity/change/20260821T1554374006150000/278911 | properties | ef:agent/opsin_iupac | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v13 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v14 |
| ef:activity/change/20260821T1554374006150000/285719 | properties | ef:agent/rdkit_post_consensus | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v14 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v15 |
| ef:activity/change/20260821T1554374006150000/293071 | altLabel | ef:agent/dedupe_altlabels | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v15 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v16 |
| ef:activity/change/20260821T1554374006150000/323877 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v16 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v17 |
| ef:activity/change/20260821T1554374006150000/393291 | properties | ef:agent/normalise_property_values | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v17 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v18 |
| ef:activity/change/20260821T1554374006150000/402177 | types | ef:agent/link_flows_to_their_substance | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v18 | ef:flow/4afaeb2f-0649-495f-9e6b-0e45a4cf0062/v19 |