Consensus flow list

Identity

Type
Neutral molecule
CAS
303-34-4
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Lasiocarpine

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

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QHOZSLCIKHUPSU-GTZNJGJUSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16+,17-,21+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)OC)C(C)(C)O)[C@H]12
IUPAC name chemrof:IUPAC_name 2-Butenoic acid, 2-methyl-, (1S,7aR)-7-[[(2R)-2,3-dihydroxy-2-[(1R)-1-methoxyethyl]-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (2Z)-
Molecular formula chemrof:molecular_formula C21H33NO7
Molecular mass chemrof:molecular_mass 411.495
Monoisotopic mass chemrof:monoisotopic_mass 411.2257, 411.225702
SMILES string chemrof:smiles_string CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)OC)C(C)(C)O)C12

Known URLs

8

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=303-34-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6382 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020772 enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10341 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10341 enrich_references.pubchem_identifier_url
knapsack knapsack:C00002097 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6325507 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27107185 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
041ff940-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-95e5-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6757495b-b7fd-4d62-a962-0867999d53d5 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-95e4-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-95e6-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-95e3-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-95e1-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-98d2-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-95e2-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-98d0-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-98d3-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-98cf-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
4d9a8790-3ddd-11dd-98d1-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-62d856aefad5feaa",
  "prefLabel": [
    {
      "@value": "Lasiocarpine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(-)-Lasiocarpine",
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    },
    {
      "@value": "7-Angelyl-9-lasiocarpylheliotridine",
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    {
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