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Monocrotaline

UUID fe0acd60-3ddc-11dd-aa70-0050c2490048
Deprecated yes
Replaced By fe0acd60-3ddc-11dd-aa71-0050c2490048
Flow Object IDfo-36df5bc6694877d7
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 315-22-0
prefLabel
Language Value Provenance
en Monocrotaline
altLabel ⓘ
Language Value Provenance
en (13-alpha,14-alpha)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione
en (3R,4R,5R,13aR,13bR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
en Retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate
en Testosterone oenanthate
en (-)-Monocrotaline
en (3<em>R</em>,4<em>R</em>,5<em>R</em>,13a<em>R</em>,13b<em>R</em>)-4,5,8,10,12,13,13a,13b-Octahydro-4,5-dihydroxy-3,4,5-trimethyl-2<em>H</em>-[1,6]dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine-2,6(3<em>H</em>)-dione
en 20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13α,14α)-
en 2<em>H</em>-[1,6]Dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine, 20-norcrotalanan-11,15-dione deriv.
en 2<em>H</em>-[1,6]Dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine-2,6(3<em>H</em>)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3<em>R</em>,4<em>R</em>,5<em>R</em>,13a<em>R</em>,13b<em>R</em>)-
en 2<em>H</em>-[1,6]Dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine-2,6(3<em>H</em>)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, [3<em>R</em>-(3<em>R</em>*,4<em>R</em>*,5<em>R</em>*,13a<em>R</em>*,13b<em>R</em>*)]-
en MeSH ID: D016686
en Monocrotalin
en NSC 28693
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey QVCMHGGNRFRMAD-XFGHUUIASA-N
InChI InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1
IUPAC name (1R,4R,5R,6R,16R)-4,5,6-trimethyl-5,6-bis(oxidanyl)-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione, (1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione, (1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-quinone
Molecular formula C16H23NO6
Molecular mass 325.361
Monoisotopic mass 325.15254
SMILES CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O, C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O, [H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)[C@](C)(O)[C@@H](C)C(=O)O1)[C@@]32[H]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-aa70-0050c2490048 monocrotaline

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=monocrotaline||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=315-22-0; added Common Chemistry CAS names as altLabel: (-)-Monocrotaline, (3<em>R</em>,4<em>R</em>,5<em>R</em>,13a<em>R</em>,13b<em>R</em>)-4,5,8,10,12,13,13a,13b-Octahydro-4,5-dihydroxy-3,4,5-trimethyl-2<em>H</em>-[1,6]dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine-2,6(3<em>H</em>)-dione, 20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13α,14α)-, 2<em>H</em>-[1,6]Dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine, 20-norcrotalanan-11,15-dione deriv., 2<em>H</em>-[1,6]Dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine-2,6(3<em>H</em>)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3<em>R</em>,4<em>R</em>,5<em>R</em>,13a<em>R</em>,13b<em>R</em>)-, 2<em>H</em>-[1,6]Dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine-2,6(3<em>H</em>)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, [3<em>R</em>-(3<em>R</em>*,4<em>R</em>*,5<em>R</em>*,13a<em>R</em>*,13b<em>R</em>*)]-, MeSH ID: D016686, Monocrotalin, NSC 28693; object_uuid=fo-36df5bc6694877d7
cas_match_labels 1 — consensus_match group_key=monocrotaline||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'315-22-0': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-36df5bc6694877d7: {'315-22-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(13-alpha,14-alpha)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(13-alpha,14-alpha)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione', 'http://purl.obolibrary.org/obo/CHEBI_6980', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3R,4R,5R,13aR,13bR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3R,4R,5R,13aR,13bR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione', 'http://purl.obolibrary.org/obo/CHEBI_6980', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate', 'http://purl.obolibrary.org/obo/CHEBI_6980', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Testosterone oenanthate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Testosterone oenanthate', 'http://purl.obolibrary.org/obo/CHEBI_6980', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(13-alpha,14-alpha)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(13-alpha,14-alpha)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione', 'http://purl.obolibrary.org/obo/CHEBI_6980', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3R,4R,5R,13aR,13bR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3R,4R,5R,13aR,13bR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione', 'http://purl.obolibrary.org/obo/CHEBI_6980', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate', 'http://purl.obolibrary.org/obo/CHEBI_6980', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Testosterone oenanthate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Testosterone oenanthate', 'http://purl.obolibrary.org/obo/CHEBI_6980', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(-)-Monocrotaline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:315-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=315-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(3<em>R</em>,4<em>R</em>,5<em>R</em>,13a<em>R</em>,13b<em>R</em>)-4,5,8,10,12,13,13a,13b-Octahydro-4,5-dihydroxy-3,4,5-trimethyl-2<em>H</em>-[1,6]dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine-2,6(3<em>H</em>)-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:315-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=315-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13α,14α)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:315-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=315-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2<em>H</em>-[1,6]Dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine, 20-norcrotalanan-11,15-dione deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:315-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=315-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2<em>H</em>-[1,6]Dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine-2,6(3<em>H</em>)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3<em>R</em>,4<em>R</em>,5<em>R</em>,13a<em>R</em>,13b<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:315-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=315-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2<em>H</em>-[1,6]Dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine-2,6(3<em>H</em>)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, [3<em>R</em>-(3<em>R</em>*,4<em>R</em>*,5<em>R</em>*,13a<em>R</em>*,13b<em>R</em>*)]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:315-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=315-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D016686', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:315-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=315-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Monocrotalin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:315-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=315-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 28693', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:315-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=315-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=monocrotaline||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=315-22-0; added Common Chemistry CAS names as altLabel: (-)-Monocrotaline, (3<em>R</em>,4<em>R</em>,5<em>R</em>,13a<em>R</em>,13b<em>R</em>)-4,5,8,10,12,13,13a,13b-Octahydro-4,5-dihydroxy-3,4,5-trimethyl-2<em>H</em>-[1,6]dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine-2,6(3<em>H</em>)-dione, 20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13α,14α)-, 2<em>H</em>-[1,6]Dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine, 20-norcrotalanan-11,15-dione deriv., 2<em>H</em>-[1,6]Dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine-2,6(3<em>H</em>)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3<em>R</em>,4<em>R</em>,5<em>R</em>,13a<em>R</em>,13b<em>R</em>)-, 2<em>H</em>-[1,6]Dioxacycloundecino[2,3,4-<em>gh</em>]pyrrolizine-2,6(3<em>H</em>)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, [3<em>R</em>-(3<em>R</em>*,4<em>R</em>*,5<em>R</em>*,13a<em>R</em>*,13b<em>R</em>*)]-, MeSH ID: D016686, Monocrotalin, NSC 28693; object_uuid=fo-36df5bc6694877d7
cas_match_labels None {'315-22-0': 'exactMatch'} group_key=monocrotaline||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'315-22-0': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-36df5bc6694877d7: {'315-22-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "fe0acd60-3ddc-11dd-aa70-0050c2490048",
  "name": null,
  "cas_numbers": [
    "315-22-0"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "fe0acd60-3ddc-11dd-aa70-0050c2490048",
  "input_datasets": [
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      "source_flow_uuid": "fe0acd60-3ddc-11dd-aa70-0050c2490048",
      "source_flow_name": "monocrotaline",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
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  "_sources": {
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    "altLabel": "consensus_match",
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  "properties": {
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      "rdfs:label": "Molecular formula",
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