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[3R-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene

UUID 1b0a2458-edc2-4d16-a146-3e52d0aa7df8
Flow Object IDfo-7aa4655b86292430
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 469-61-4
EC Numbers 207-418-4
prefLabel
Language Value Provenance
en [3R-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
altLabel
Language Value Provenance
en (-)-alpha-cedrene
en (1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undec-8-ene
en (3R,3aS,7S,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene
en [3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
en alpha-cedrene
en cedr-8-ene
en levo-alpha-cedrene
en (-)-Cedrene
en (-)-α-Cedrene
en (3<em>R</em>,3a<em>S</em>,7<em>S</em>,8a<em>S</em>)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulene
en 1<em>H</em>-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3<em>R</em>,3a<em>S</em>,7<em>S</em>,8a<em>S</em>)-
en 1<em>H</em>-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3<em>R</em>-(3α,3aβ,7β,8aα)]-
en Levo-α-cedrene
en [3R-(3α,3aβ,7β,8αa)]-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulene
en α-Cedrene
Definitions
Language Value Provenance
en A sesquiterpene that is cedrane which has a double bond between positions 8 and 9.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey IRAQOCYXUMOFCW-OSFYFWSMSA-N
InChI InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1
IUPAC name (1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
Molecular formula C15H24
Molecular mass 204.357
Monoisotopic mass 204.1878
SMILES CC1CCC2C13CC=C(C(C3)C2(C)C)C, C[C@@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)C, [H][C@@]12CC[C@@H](C)[C@@]13CC=C(C)[C@H](C3)C2(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1b0a2458-edc2-4d16-a146-3e52d0aa7df8 [3R-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 [3R-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene Emissions/Emissions to soil/Emissions to agricultural soil kg exactMatch

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=[3r-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1h-3a,7-methanoazulene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=469-61-4; added Common Chemistry CAS names as altLabel: (-)-Cedrene, (-)-α-Cedrene, (3<em>R</em>,3a<em>S</em>,7<em>S</em>,8a<em>S</em>)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulene, 1<em>H</em>-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3<em>R</em>,3a<em>S</em>,7<em>S</em>,8a<em>S</em>)-, 1<em>H</em>-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3<em>R</em>-(3α,3aβ,7β,8aα)]-, Levo-α-cedrene, [3R-(3α,3aβ,7β,8αa)]-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulene, α-Cedrene; object_uuid=fo-7aa4655b86292430
cas_match_labels 1 consensus_match group_key=[3r-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1h-3a,7-methanoazulene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory']; cas_sources={'469-61-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7aa4655b86292430: {'469-61-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(-)-alpha-cedrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(-)-alpha-cedrene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undec-8-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undec-8-ene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3R,3aS,7S,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3R,3aS,7S,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '[3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:[3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-cedrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-cedrene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cedr-8-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cedr-8-ene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'levo-alpha-cedrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:levo-alpha-cedrene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(-)-alpha-cedrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(-)-alpha-cedrene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undec-8-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undec-8-ene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3R,3aS,7S,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3R,3aS,7S,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '[3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:[3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-cedrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-cedrene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cedr-8-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cedr-8-ene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'levo-alpha-cedrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:levo-alpha-cedrene', 'http://purl.obolibrary.org/obo/CHEBI_10216', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(-)-Cedrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:469-61-4', 'https://commonchemistry.cas.org/detail?cas_rn=469-61-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(-)-α-Cedrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:469-61-4', 'https://commonchemistry.cas.org/detail?cas_rn=469-61-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(3<em>R</em>,3a<em>S</em>,7<em>S</em>,8a<em>S</em>)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:469-61-4', 'https://commonchemistry.cas.org/detail?cas_rn=469-61-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>H</em>-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3<em>R</em>,3a<em>S</em>,7<em>S</em>,8a<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:469-61-4', 'https://commonchemistry.cas.org/detail?cas_rn=469-61-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>H</em>-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3<em>R</em>-(3α,3aβ,7β,8aα)]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:469-61-4', 'https://commonchemistry.cas.org/detail?cas_rn=469-61-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Levo-α-cedrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:469-61-4', 'https://commonchemistry.cas.org/detail?cas_rn=469-61-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '[3R-(3α,3aβ,7β,8αa)]-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:469-61-4', 'https://commonchemistry.cas.org/detail?cas_rn=469-61-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Cedrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:469-61-4', 'https://commonchemistry.cas.org/detail?cas_rn=469-61-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=[3r-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1h-3a,7-methanoazulene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=469-61-4; added Common Chemistry CAS names as altLabel: (-)-Cedrene, (-)-α-Cedrene, (3<em>R</em>,3a<em>S</em>,7<em>S</em>,8a<em>S</em>)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulene, 1<em>H</em>-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3<em>R</em>,3a<em>S</em>,7<em>S</em>,8a<em>S</em>)-, 1<em>H</em>-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3<em>R</em>-(3α,3aβ,7β,8aα)]-, Levo-α-cedrene, [3R-(3α,3aβ,7β,8αa)]-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1<em>H</em>-3a,7-methanoazulene, α-Cedrene; object_uuid=fo-7aa4655b86292430
cas_match_labels None {'469-61-4': 'exactMatch'} group_key=[3r-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1h-3a,7-methanoazulene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory']; cas_sources={'469-61-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7aa4655b86292430: {'469-61-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
    "469-61-4"
  ],
  "ec_numbers": [
    "207-418-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 175.46
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 175.46
    }
  ],
  "source": "EF 3.1",
  "identifier": "1b0a2458-edc2-4d16-a146-3e52d0aa7df8",
  "input_datasets": [
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      "source_flow_uuid": "1b0a2458-edc2-4d16-a146-3e52d0aa7df8",
      "source_flow_name": "[3R-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene",
      "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 soil",
          "Emissions to agricultural soil"
        ]
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    }
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  "prefLabel": [
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  "_sources": {
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    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "ec_numbers": "ec_cross_check",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
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  "properties": {
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      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
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        "C[C@@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)C",
        "[H][C@@]12CC[C@@H](C)[C@@]13CC=C(C)[C@H](C3)C2(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": [
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