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(Q74417961)
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English
2-(2-methylbutanoyl)phloroglucinol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
aromatic ketone
0 references
trihydroxybenzene
0 references
mass
210.089208928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₄O₄
0 references
canonical SMILES
O=C(C=1C(O)=CC(O)=CC1O)C(C)CC
0 references
found in taxon
Helichrysum zeyheri
1 reference
stated in
Phloroglucinol derivatives and other constituents from South African Helichrysum species
Phyllanthus emblica
1 reference
stated in
Two new acylated flavanone glycosides from the leaves and branches of Phyllanthus emblica
Jatropha multifida
1 reference
stated in
New bioactive macrocyclic diterpenoids from Jatropha multifida
Identifiers
InChI
InChI=1S/C11H14O4/c1-3-6(2)11(15)10-8(13)4-7(12)5-9(10)14/h4-6,12-14H,3H2,1-2H3
0 references
InChIKey
ASABIRFQGVWRDC-UHFFFAOYSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
CAS Registry Number
125074-06-8
1 reference
InChIKey
ASABIRFQGVWRDC-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=125074-06-8
PubChem CID
442919
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ASABIRFQGVWRDC-UHFFFAOYSA-N
Reaxys registry number
2582132
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
134326
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H14O4/c1-3-6(2)11(15)10-8(13)4-7(12)5-9(10)14/h4-6,12-14H,3H2,1-2H3
UniChem compound ID
24680
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10332006
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
ASABIRFQGVWRDC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10283100
0 references
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