Consensus flow list

[1S-(1α,3aβ,4α,8aβ)]-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene

fo-266e874486293687

Identity

Type
Neutral molecule
CAS
475-20-7
EC
207-491-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for [1S-(1α,3aβ,4α,8aβ)]-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene

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 PDSNLYSELAIEBU-GUIRCDHDSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C=C1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C
IUPAC name chemrof:IUPAC_name (1S,3aR,4S,8aS)-(+)-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene
Molecular formula chemrof:molecular_formula C15H24
Molecular mass chemrof:molecular_mass 204.357
Monoisotopic mass chemrof:monoisotopic_mass 204.1878, 204.187801
SMILES string chemrof:smiles_string C=C1C2CCC3C2C(C)(C)CCCC13C

Known URLs

18

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:2044262 enrich_references.chebi_xrefs
beilstein beilstein:2044263 enrich_references.chebi_xrefs
beilstein beilstein:4663756 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=475-20-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49282 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6530 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.812 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9047045 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL519092 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3YXH7YY8WM enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C09699 enrich_references.chebi_xrefs
knapsack knapsack:C00003162 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMPR0103500001 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMPR0103500017 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28378 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1796220 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q6673936 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Longifolene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
77d71fbc-5dd7-4ddb-852a-c4f21509965d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
71fe9937-4c0f-4537-ac4d-c09f7a3c10f5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
24176e95-e226-4048-813e-c677b1e04361 Environmental → Air → Indoor EF 3.1 kg 2
e11b43f1-5dd2-434e-8a94-1c330e1ef348 Environmental → Air → Long-term EF 3.1 kg 0
26913785-23ba-45f1-9b28-a78ee62c2484 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9a7f7787-29cd-4dc8-a10a-36bfe7e39eec Environmental → Air → Unknown EF 3.1 kg 2
6d6289e9-135b-4dd4-98fd-b3e1487d87af Environmental → Ground → Agricultural EF 3.1 kg 2
0a66e8e4-2195-48a2-9052-b22742d7e642 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f968ef6e-7665-471a-89e7-2b877e648451 Environmental → Ground → Unknown EF 3.1 kg 2
df5ea853-fa4e-4a24-b5ee-482da0fb98e0 Environmental → Water → Long-term EF 3.1 kg 0
fe8fbaa4-3058-46ae-93e7-6742652de224 Environmental → Water → Ocean EF 3.1 kg 2
3750e262-5798-4b6f-b932-75d2fb6e6f1d Environmental → Water → Surface water EF 3.1 kg 2
e3e6c1b6-9186-424b-a4ee-5bf01d6b10d0 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-266e874486293687",
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    },
    {
      "@value": "(1S,3aR,4S,8aS)-4,8,8-trimethyl-9-methylenedecahydro-1,4-methanoazulene",
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    },
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      "@value": "1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-, (1S,3aR,4S,8aS)-",
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    {
      "@value": "4,8,8-trimethyl-9-methylidenedecahydro-1,4-methanoazulene",
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    },
    {
      "@value": "d-longifolene",
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    {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Kuromatsuen",
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    },
    {
      "@value": "kuromatsuene",
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    },
    {
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    },
    {
      "@value": "α-Longifolene",
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  "properties": {
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