16-methylheptadecanoic Acid - (2s,3r,4s)-1,1,2,3,4,5-pentanehexol (1:1)
Everything that changed this flow. Back to the flow
8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | the substance's answer, copied onto its flow |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Span 120' (grade 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=16-methylheptadecanoicacid-(2s,3r,4s)-1,1,2,3,4,5-pentanehexol(1:1)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'71902-01-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-0cc1c066cfd0b216: {'71902-01-7': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['71902-01-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[172936, 53798634, 73335012, 78178631, 91886584]; selected_pubchem_cids=[172936, 73335012, 78178631, 91886584]; 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 |
|---|---|---|---|---|---|
| 11,177 | bootstrap_labels | prefLabel | — | [{"@value":"16-methylheptadecanoic acid - (2s,3r,4s)-1,1,2,3,4,5-pentanehexol (1:1)","@language":"en","source":{"prov:w… | Bootstrapped prefLabel from legacy name field |
| 11,178 | bootstrap_labels | name | 16-methylheptadecanoic acid - (2s,3r,4s)-1,1,2,3,4,5-pentanehexol (1:1) | — | Purged legacy name field to enforce prefLabel usage |
| 11,179 | bootstrap_labels | synonyms | ["organic","sorbitan,isooctadecanoate","anfomuls5","anfomuls6","radiasurf7758","span120"] | [] | Removed legacy synonyms field in favor of structured labels |
| 134,630 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 134,631 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 217,044 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,701 | normalize_name_case | prefLabel | [{"@value":"16-methylheptadecanoic acid - (2s,3r,4s)-1,1,2,3,4,5-pentanehexol (1:1)","@language":"en","source":{"prov:w… | [{"@value":"16-methylheptadecanoic Acid - (2s,3r,4s)-1,1,2,3,4,5-pentanehexol (1:1)","@language":"en","source":{"prov:w… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,814 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O8",… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=4) |
| 237,815 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,816 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.540.936A","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['71902-01-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[172936, 53798634, 73335012, 78178631, 91886584]; selected_pubchem_cids=[172936, 73335012, 78178631, 91886584]; 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 |
| 251,372 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O8",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O8",… | rdkit_pre_consensus from 'CC(C)CCCCCCCCCCCCCCC(=O)O.C(C(C(C(C(O)O)O)O)O)O'; added: molecular_mass, monoisotopic_mass |
| 259,359 | consensus_match | altLabel | [] | [{"@value":"Dragosan W/O P","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | group_key=16-methylheptadecanoicacid-(2s,3r,4s)-1,1,2,3,4,5-pentanehexol(1:1)||dimension=Environmental > media=Water > water_body=Surface water; cas=71902-01-7; added Common Chemistry CAS names as altLabel: Dragosan W/O P, Emalex SPIS 100, Sorbitan isostearate, Sorbitan, isooctadecanoate, Span 120; object_uuid=fo-0cc1c066cfd0b216 |
| 259,360 | consensus_match | cas_match_labels | — | {"71902-01-7":"exactMatch"} | group_key=16-methylheptadecanoicacid-(2s,3r,4s)-1,1,2,3,4,5-pentanehexol(1:1)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'71902-01-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-0cc1c066cfd0b216: {'71902-01-7': 'exactMatch'} |
| 276,550 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O8",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O8",… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '16-methylheptadecanoic Acid - (2s,3r,4s)-1,1,2,3,4,5-pentanehexol (1:1)' |
| 283,163 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O8",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O8",… | rdkit_post_consensus from 'CC(C)CCCCCCCCCCCCCCC(=O)O.OC[C@H](O)[C@@H](O)[C@H](O)C(O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,948 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O8",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O8",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,562 | strip_catalogue_altlabels | altLabel | [{"@value":"Dragosan W/O P","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | [{"@value":"Dragosan W/O P","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | Removed 1 catalogue altLabel value(s): 'Span 120' (grade code) |
| 348,304 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8e9b3abe-ef6b-… | associations resolved on the elementary layer |
| 398,712 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
| 398,713 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O8",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H48O8",… | 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/20260820T1812399309960000/11177 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v0 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v1 |
| ef:activity/change/20260820T1812399309960000/11178 | name | ef:agent/bootstrap_labels | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v1 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v2 |
| ef:activity/change/20260820T1812399309960000/11179 | synonyms | ef:agent/bootstrap_labels | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v2 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v3 |
| ef:activity/change/20260820T1812399309960000/134630 | context | ef:agent/default_context_mapping | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v3 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v4 |
| ef:activity/change/20260820T1812399309960000/134631 | context_iri | ef:agent/default_context_mapping | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v4 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v5 |
| ef:activity/change/20260820T1812399309960000/217044 | unit_iri | ef:agent/unit_normalization | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v5 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v6 |
| ef:activity/change/20260820T1812399309960000/223701 | prefLabel | ef:agent/normalize_name_case | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v6 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v7 |
| ef:activity/change/20260820T1812399309960000/237814 | properties | ef:agent/enrich_references | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v7 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v8 |
| ef:activity/change/20260820T1812399309960000/237815 | skos_definition | ef:agent/enrich_references | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v8 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v9 |
| ef:activity/change/20260820T1812399309960000/237816 | references | ef:agent/enrich_references | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v9 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v10 |
| ef:activity/change/20260820T1812399309960000/251372 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v10 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v11 |
| ef:activity/change/20260820T1812399309960000/259359 | altLabel | ef:agent/consensus_match | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v11 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v12 |
| ef:activity/change/20260820T1812399309960000/259360 | cas_match_labels | ef:agent/consensus_match | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v12 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v13 |
| ef:activity/change/20260820T1812399309960000/276550 | properties | ef:agent/opsin_iupac | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v13 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v14 |
| ef:activity/change/20260820T1812399309960000/283163 | properties | ef:agent/rdkit_post_consensus | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v14 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v15 |
| ef:activity/change/20260820T1812399309960000/286948 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v15 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v16 |
| ef:activity/change/20260820T1812399309960000/289562 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v16 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v17 |
| ef:activity/change/20260820T1812399309960000/348304 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v17 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v18 |
| ef:activity/change/20260820T1812399309960000/398712 | types | ef:agent/link_flows_to_their_substance | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v18 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v19 |
| ef:activity/change/20260820T1812399309960000/398713 | properties | ef:agent/link_flows_to_their_substance | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v19 | ef:flow/8e9b3abe-ef6b-4e28-979a-0aa50d7e9dca/v20 |