Consensus flow list

(-)-β-Pinene

fo-0f4f5d214c4cec74

Identity

Type
NeutralMolecule
CAS
18172-67-3
EC
242-060-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for (-)-β-Pinene

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WTARULDDTDQWMU-IUCAKERBSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C=C1CC[C@H]2C[C@@H]1C2(C)C
IUPAC name chemrof:IUPAC_name (-)-β-Pinene
Molecular formula chemrof:molecular_formula C10H16
Molecular mass chemrof:molecular_mass 136.238
Monoisotopic mass chemrof:monoisotopic_mass 136.1252, 136.125201
SMILES string chemrof:smiles_string C=C1CCC2CC1C2(C)C

Known URLs

21

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=18172-67-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28359 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.222 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1041184 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184774 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4MS8VHZ1HJ enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AFN153A7SU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0036559 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J108.666I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06307 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06307 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000806 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMPR0102120013 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMPR0102120013 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=163716 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28167 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/440967 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=521408 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=533613 enrich_references.pubchem_identifier_url
reaxys reaxys:2038282 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27103655 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
041f8408-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-a797-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
80122ca7-42ef-4199-8449-cae7969a398d Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-a796-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a798-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-a795-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
041f8406-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 2
041f8409-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 2
041f840b-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 2
041f840d-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
041f840a-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 2
041f8407-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 2
041f840c-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-0f4f5d214c4cec74",
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      "@value": "(1S,5S)-6,6-Dimethyl-2-methylenenorpinane",
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      "@value": "(1S,5S)-beta-pinene",
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    },
    {
      "@value": "Beta-pinene",
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    },
    {
      "@value": "l-β-Pinene",
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  "properties": {
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