Consensus flow list

4-methylveratrole

fo-7bbe7357f61d2da2

Identity

Type
Neutral molecule
CAS
494-99-5
EC
207-796-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-methylveratrole

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GYPMBQZAVBFUIZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
IUPAC name chemrof:IUPAC_name 4-methylveratrole
Molecular formula chemrof:molecular_formula C9H12O2
Molecular mass chemrof:molecular_mass 152.193
Monoisotopic mass chemrof:monoisotopic_mass 152.08373
SMILES string chemrof:smiles_string COc1ccc(C)cc1OC

Known URLs

11

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=494-99-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.088 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8060088 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7378 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL273904 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/349X0G2SSF enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0303183 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.504B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=129979 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/68126 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27256350 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3a46cd50-c53d-4577-859e-6e1397647510 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
104bf10c-0be3-4d3b-b92c-4b51a497e2b8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9814f8f0-42c2-44cd-b775-c273820be4cc Environmental → Air → Indoor EF 3.1 kg 2
19ab3f7e-9db6-4026-b174-c2e0f3d79d24 Environmental → Air → Long-term EF 3.1 kg 0
dfe53a72-b67a-4d72-9112-1535ac799103 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
436140d3-0b2f-4b66-bb47-4d49087a6789 Environmental → Air → Unknown EF 3.1 kg 2
d0f9a8ab-9690-4332-ab09-80100a7af425 Environmental → Ground → Agricultural EF 3.1 kg 2
11085047-44c4-4acb-a9bc-fa2e68d2b5ec Environmental → Ground → Non-agricultural EF 3.1 kg 2
342beb36-385f-4601-95df-235724524ef0 Environmental → Ground → Unknown EF 3.1 kg 2
1f4e0a72-6beb-438e-929d-7d0a694c8da8 Environmental → Water → Long-term EF 3.1 kg 0
ebf1d8d9-ad71-425f-81ed-d6aeda139458 Environmental → Water → Ocean EF 3.1 kg 2
32e11fe7-b5cc-4a36-9f4b-5d4dc25ca6b2 Environmental → Water → Surface water EF 3.1 kg 2
6f0aee23-ac35-4a78-95f9-72e01a28a2f5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7bbe7357f61d2da2",
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  "altLabel": [
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      "@value": "1,2-Dimethoxy-4-methylbenzene",
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      "@value": "2-Methoxy-5-methylanisole",
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      "@value": "4-Methyl-1,2-dimethoxybenzene",
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      "@value": "4-Methylcatechol dimethyl ether",
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      "@value": "Toluene, 3,4-dimethoxy-",
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