Consensus flow list

(-)-Borneol

fo-887cab249e465858

Identity

Type
NeutralMolecule
CAS
464-45-9
EC
207-353-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
64 across every transformer

Structure

Structure diagram for (-)-Borneol

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

Alternative labels

20

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DTGKSKDOIYIVQL-QXFUBDJGSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2
IUPAC name chemrof:IUPAC_name (1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanol, (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, (1S,2R,4S)-1,7,7-trimethylnorbornan-2-ol
Molecular formula chemrof:molecular_formula C10H18O
Molecular mass chemrof:molecular_mass 154.253
Monoisotopic mass chemrof:monoisotopic_mass 154.135765, 154.13577
SMILES string chemrof:smiles_string CC1(C)C2CCC1(C)C(O)C2

Known URLs

15

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
beilstein beilstein:2038053 enrich_references.chebi_xrefs
beilstein beilstein:3587558 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=464-45-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15394 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.686 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3022035 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186705 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1Y84986J9Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0034976 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.306H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01766 enrich_references.chebi_xrefs
knapsack knapsack:C00011024 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46785 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1201518 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27089413 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
63233c95-84d8-49f7-8fcb-35a1159bf662 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9e9bbe0a-84d1-4258-b24d-8e85bce3c38f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a0454058-eafc-460e-80fd-cd2d12e4ee4c Environmental → Air → Indoor EF 3.1 kg 2
1616762e-64cf-477b-aa7a-e3e86cb243a8 Environmental → Air → Long-term EF 3.1 kg 0
fdc09290-4dad-4621-a0b2-c71519b5c8ea Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
504d9c0d-75ab-4ddc-87e8-d25f4c365a2a Environmental → Air → Unknown EF 3.1 kg 2
daaa094b-8857-4c6a-b6a3-9eeadfedd3ce Environmental → Ground → Agricultural EF 3.1 kg 2
441a7af3-3781-4854-9558-4e9f431561e8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0a982b02-b0e6-4ecb-88e3-34579ace09ff Environmental → Ground → Unknown EF 3.1 kg 2
839d507b-acd7-4b06-afe0-001b400ec85d Environmental → Water → Long-term EF 3.1 kg 0
05269ed2-3b5d-45bb-8aa5-3c3407552fb6 Environmental → Water → Ocean EF 3.1 kg 2
ad5fa5f1-3be4-40a7-9a42-ac8358699ac5 Environmental → Water → Surface water EF 3.1 kg 2
9b8b9d37-26da-49d8-a663-4e56a6241b2e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (64 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-887cab249e465858",
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      "@value": "(-)-Borneol",
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  "altLabel": [
    {
      "@value": "(-)-(1S,4S)-Borneol",
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    {
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      "@value": "Camphyl alcohol",
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    },
    {
      "@value": "L-Borneol",
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    },
    {
      "@value": "Ngai camphor",
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