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2-propenoic Acid Hexahydro-4,7-methano-1h-indenyl Ester
| Flow Object ID | fo-bb156e5fcd7f335a | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers |
12542-30-2
|
||||||
| EC Numbers |
235-697-2
|
||||||
| Changes Applied | 26 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 0d109be9-c65b-4fd8-91d5-e0c80d4042ad |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
FXUKGXDXEJLUNK-FMIVXFBMSA-N, FXUKGXDXEJLUNK-UHFFFAOYSA-N, ISRJTGUYHVPAOR-UHFFFAOYSA-N, QIUNGSAMKOAMJV-UHFFFAOYSA-N, RXUBNQTUDCVFNN-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C13H16O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h2,8,10-11H,1,3-7H2
|
| IUPAC name |
2-propenoic Acid Hexahydro-4,7-methano-1h-indenyl Ester
|
| Molecular formula |
C13H12O2, C13H16O2, C14H18O2
|
| Molecular mass |
200.237, 204.269
|
| Monoisotopic mass |
200.08373, 204.11503
|
| SMILES |
C=CC(=O)OC1CCC2C1=C1CCC2C1
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J308.540F
- https://chem.echa.europa.eu/100.032.439
- https://commonchemistry.cas.org/detail?cas_rn=12542-30-2
- https://pubchem.ncbi.nlm.nih.gov/compound/133612065
- https://pubchem.ncbi.nlm.nih.gov/compound/21663845
- https://pubchem.ncbi.nlm.nih.gov/compound/3037072
- https://pubchem.ncbi.nlm.nih.gov/compound/53824076
- https://www.wikidata.org/wiki/Q126611666
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
601448e5… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
c5d8a61c… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
798ee8d5… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
0f06cd8b… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
5c59ab14… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
d0babb76… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
0d109be9… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
286529b8… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
dac43154… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
165efc0e… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
321a500c… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
0d109be9… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
0d109be9… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
0f06cd8b… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
0f06cd8b… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
165efc0e… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
165efc0e… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
286529b8… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
286529b8… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
2d7d1e17… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
2d7d1e17… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
321a500c… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
321a500c… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
32bb5ae6… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
32bb5ae6… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
5c59ab14… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
5c59ab14… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
601448e5… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
601448e5… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
798ee8d5… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
798ee8d5… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
c5d8a61c… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
c5d8a61c… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
d0babb76… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
d0babb76… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
dac43154… |
altLabel |
— |
[{"@value":"2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:12542-30-2","https://commonchemistry.cas.org/detail?cas_rn=12542-30-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; cas=12542-30-2; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester; object_uuid=fo-bb156e5fcd7f335a |
dac43154… |
cas_match_labels |
— |
{"12542-30-2":"exactMatch"} |
group_key=2-propenoicacidhexahydro-4,7-methano-1h-indenylester||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'12542-30-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bb156e5fcd7f335a: {'12542-30-2': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-bb156e5fcd7f335a",
"prefLabel": [
{
"@value": "2-propenoic Acid Hexahydro-4,7-methano-1h-indenyl Ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "2-Propenoic acid, 3a,4,7,7a,?,?-hexahydro-4,7-methano-1<em>H</em>-indenyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H12O2",
"C13H16O2",
"C14H18O2"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3037072",
"CID:21663845",
"CID:53824076",
"CID:133612065"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OC1CCC2C1=C1CCC2C1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"FXUKGXDXEJLUNK-FMIVXFBMSA-N",
"FXUKGXDXEJLUNK-UHFFFAOYSA-N",
"ISRJTGUYHVPAOR-UHFFFAOYSA-N",
"QIUNGSAMKOAMJV-UHFFFAOYSA-N",
"RXUBNQTUDCVFNN-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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"CID:21663845",
"CID:53824076",
"CID:133612065"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=CC(=O)OC1CCC2C1=C1CCC2C1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=CC(=O)OC1CCC2C1=C1CCC2C1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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