Consensus flow list

Jasmolin I

fo-eb974a29caf6315e

Identity

Type
NeutralMolecule
CAS
4466-14-2
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Jasmolin I

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

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NZKIRHFOLVYKFT-NEWSRXKRSA-N, NZKIRHFOLVYKFT-VUMXUWRFSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H30O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-/t16-,18+,19+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O
IUPAC name chemrof:IUPAC_name (1S)-2-methyl-4-oxo-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
Molecular formula chemrof:molecular_formula C21H30O3
Molecular mass chemrof:molecular_mass 330.468
Monoisotopic mass chemrof:monoisotopic_mass 330.21949, 330.219495
SMILES string chemrof:smiles_string CCC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O

Known URLs

13

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:2162077 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=4466-14-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39113 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5042081 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E11IV49HVI enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.736J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C16780 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C16780 enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMPR0102060004 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28034 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12304687 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=529218 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q24018089 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e6e25ab9-35cc-46ac-8a1e-aa74f5a573cb Environmental → Air → Aircraft cruise height EF 3.1 kg 2
807e68f5-0279-4ff8-8093-5123e991ffd9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6f510d88-5466-4700-9d28-f93f55db073d Environmental → Air → Indoor EF 3.1 kg 2
eb62e819-a37f-4fb5-ad48-23696e787d60 Environmental → Air → Long-term EF 3.1 kg 0
3b432962-3856-4a15-8c7b-20e0b8cdc2d5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
461a66b6-d844-4639-ada5-8138299a9d56 Environmental → Air → Unknown EF 3.1 kg 2
1a5b5176-a57a-4862-93bb-3e0ebb057a06 Environmental → Ground → Agricultural EF 3.1 kg 2
6a8aa895-fbf9-4ecb-8d37-d7a01bc43fbc Environmental → Ground → Non-agricultural EF 3.1 kg 2
16093348-4072-406f-9ecd-83251afeb430 Environmental → Ground → Unknown EF 3.1 kg 2
7c137744-8ad1-4c09-a54d-300ec2740dfe Environmental → Water → Long-term EF 3.1 kg 0
4cf79939-f9c1-42dd-b027-19b6b0310fae Environmental → Water → Ocean EF 3.1 kg 2
812bd45b-0458-4b58-a760-cc4357d5a49f Environmental → Water → Surface water EF 3.1 kg 2
e17c4c78-44ad-4b30-9b09-d4e0d269fa8b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
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