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About This Item
Empirical Formula (Hill Notation):
C16H12O5
CAS Number:
Molecular Weight:
284.26
UNSPSC Code:
51111800
NACRES:
NA.77
PubChem Substance ID:
EC Number:
209-018-5
Beilstein/REAXYS Number:
292155
MDL number:
Quality Segment
assay
≥98.0% (TLC)
form
powder
SMILES string
COc1cc(O)c2C(=O)C(=COc2c1)c3ccc(O)cc3
InChI
1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChI key
KQMVAGISDHMXJJ-UHFFFAOYSA-N
Biochem/physiol Actions
Inhibitor of both cytoplasmic and mitochondrial human liver aldehyde dehydrogenases, possibly by binding at an allosteric site.
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
Storage Class
11 - Combustible Solids
WGK
WGK 3
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
PPE (personal protective equipment)
Eyeshields, Gloves, type N95 (US)
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