3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-23bea637dd69af4e
Changes
53| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,764 | bootstrap_labels | prefLabel | — | [{"@value":"3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione","@language":"en","source"… | Bootstrapped prefLabel from legacy name field |
| 12,765 | bootstrap_labels | name | 3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione | — | Purged legacy name field to enforce prefLabel usage |
| 46,792 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 46,793 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 64,810 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 64,811 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 75,668 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 75,669 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 100,788 | 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 |
| 100,789 | 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 |
| 103,430 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 103,431 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 107,192 | 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 |
| 107,193 | 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 |
| 121,898 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 121,899 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 125,360 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 125,361 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 129,872 | 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 |
| 129,873 | 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 |
| 141,708 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 141,709 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 155,492 | 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 |
| 155,493 | 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 |
| 181,590 | 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 |
| 181,591 | 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 |
| 193,144 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 193,145 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 217,561 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 239,301 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C54H84N2O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,302 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,303 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.797.232D","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['247089-62-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[135565960]; selected_pubchem_cids=[135565960]; 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 |
| 251,802 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C54H84N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C54H84N2O2… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)SCCCCCCCCCCCCCCCCCC'; added: molecular_mass, monoisotopic_mass |
| 261,639 | consensus_match | altLabel | [] | [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","sou… | group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Long-term; cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e |
| 261,640 | consensus_match | cas_match_labels | — | {"247089-62-9":"exactMatch"} | group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Long-term; group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'} |
| 276,989 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C54H84N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C54H84N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione' |
| 283,641 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C54H84N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C54H84N2O2… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCCCCSc1ccc(C2=C3C(=O)NC(c4ccc(SCCCCCCCCCCCCCCCCCC)cc4)=C3C(=O)N2)cc1'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,001 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C54H84N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C54H84N2O2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,647 | dedupe_altlabels | altLabel | [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","sou… | [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-c]pyrrole-1,4-dione","@language":"en","source":{"pr… | Deduplicated altLabel values and removed entries matching prefLabel |
| 304,421 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0ffe4e0f-651b-… | associations resolved on the elementary layer |
| 313,421 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/29b95aa0-06dd-… | associations resolved on the elementary layer |
| 318,847 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3afc4a27-a2d0-… | associations resolved on the elementary layer |
| 331,389 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/55bbdbe6-c39e-… | associations resolved on the elementary layer |
| 332,710 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5a4a1463-da90-… | associations resolved on the elementary layer |
| 334,592 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/60a13fb4-ae39-… | associations resolved on the elementary layer |
| 341,945 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/79435af6-d9fd-… | associations resolved on the elementary layer |
| 343,680 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7f0ee008-d7fd-… | associations resolved on the elementary layer |
| 345,934 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/86aed947-567b-… | associations resolved on the elementary layer |
| 351,853 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9ab076ad-19ed-… | associations resolved on the elementary layer |
| 358,768 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b1b975dc-b51b-… | associations resolved on the elementary layer |