Consensus flow list

(+)-Pulegone

fo-1db2f69173a4fe5f

Identity

Type
NeutralMolecule
CAS
89-82-7
EC
201-943-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for (+)-Pulegone

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

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NZGWDASTMWDZIW-MRVPVSSYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC(C)=C1CC[C@@H](C)CC1=O
IUPAC name chemrof:IUPAC_name (1R)-(+)-p-Menth-4(8)-en-3-one
Molecular formula chemrof:molecular_formula C10H16O
Molecular mass chemrof:molecular_mass 152.237
Monoisotopic mass chemrof:monoisotopic_mass 152.120115, 152.12012
SMILES string chemrof:smiles_string CC(C)=C1CCC(C)CC1=O

Known URLs

20

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=89-82-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35596 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.767 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2025975 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2924219 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/pulegone enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4LF2673R3G enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0035604 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.216F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C09893 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C09893 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000827 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMPR0102090025 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMPR0102090025 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28113 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/442495 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=520132 enrich_references.pubchem_identifier_url
reaxys reaxys:3588094 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q413816 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pulegone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e0589947-634c-4090-8120-a5e67aa25bac Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8c5b4f19-1394-49a0-b8fd-690c5e1b2dfe Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8f767ec9-b0b2-49e1-bf02-6e88bb22870e Environmental → Air → Indoor EF 3.1 kg 2
0dba21df-51a2-4f3c-a02e-3fc04b364c7e Environmental → Air → Long-term EF 3.1 kg 0
4343b3d1-78a8-4f80-bd40-e854e188c8f9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c613a0c5-a1a8-4301-b1ac-4532b4754ff4 Environmental → Air → Unknown EF 3.1 kg 2
de7c7704-51c2-462a-b84b-569a45cd0b94 Environmental → Ground → Agricultural EF 3.1 kg 2
eed980ac-9c64-427b-9076-5d9a014f5d46 Environmental → Ground → Non-agricultural EF 3.1 kg 2
138a332e-741a-43b8-a80b-69f45ab2fcfa Environmental → Ground → Unknown EF 3.1 kg 2
edde3a52-c81a-4123-83b7-c776f088bc9a Environmental → Water → Long-term EF 3.1 kg 0
3278f6b4-7afc-43ec-812d-ac7811341403 Environmental → Water → Ocean EF 3.1 kg 2
afffdeaf-0772-44fe-a072-038021b1fd56 Environmental → Water → Surface water EF 3.1 kg 2
f265e208-f8dd-4163-afef-bf75fab3936d 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-1db2f69173a4fe5f",
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      "@value": "(+)-(R)-Pulegone",
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    {
      "@value": "d-Pulegone",
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    {
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    },
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