Consensus flow list

Identity

Type
NeutralMolecule
CAS
7212-44-4
EC
230-597-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Nerolidol

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
herbicide CHEBI:24527 A substance used to destroy plant pests. 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

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FQTLCLSUCSAZDY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3
IUPAC name chemrof:IUPAC_name Nerolidol
Molecular formula chemrof:molecular_formula C15H26O
Molecular mass chemrof:molecular_mass 222.372
Monoisotopic mass chemrof:monoisotopic_mass 222.198365, 222.19837
SMILES string chemrof:smiles_string C=CC(C)(O)CCC=C(C)CCC=C(C)C

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
agr agr:IND607344987 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=7212-44-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7524 enrich_references.chebi_id_link
ChemSpider https://www.chemspider.com/Chemical-Structure.8549.html enrich_references.chebi_xrefs
foodb.food foodb.food:FDB014378 enrich_references.chebi_xrefs
HMDB https://hmdb.ca/metabolites/HMDB0035662 enrich_references.chebi_xrefs
knapsack knapsack:C00003166 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25880240 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27136520 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31715307 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31827712 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32048763 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32825411 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32941795 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33212213 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33611212 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33613971 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33999335 enrich_references.chebi_xrefs
reaxys reaxys:1724135 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Nerolidol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
c945ad07-761c-4c9c-88ff-e5b868e38da4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7864ab67-354d-4813-920b-67aff1ded603 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
88cda0a3-5fcb-45af-a019-e5e818fd7f0b Environmental → Air → Indoor EF 3.1 kg 4
31ad0b6d-416d-459d-8621-0cad71fdfb2d Environmental → Air → Long-term EF 3.1 kg 0
7d503a09-a4e6-4f2b-aca0-f973591f3779 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2d1fe2ca-1c81-4318-85e9-e9302e15e753 Environmental → Air → Unknown EF 3.1 kg 4
95d87c81-fd59-4d31-a846-d72826ccd953 Environmental → Ground → Agricultural EF 3.1 kg 4
3532743e-aa1e-4856-8ab1-6cf5773ee986 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1b2d8279-ca3c-472b-a356-5c82d5593d2c Environmental → Ground → Unknown EF 3.1 kg 4
7427bb69-6c82-4cbd-aa24-96e29e718c99 Environmental → Water → Long-term EF 3.1 kg 0
d7b56afb-bd32-40fa-8688-0a6a44b78136 Environmental → Water → Ocean EF 3.1 kg 4
f6b1529a-f7ff-420e-a389-3dd78edbd83f Environmental → Water → Surface water EF 3.1 kg 4
11871af2-26e5-41ee-8993-d729fc231ff4 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON
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