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(Q82898966)
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English
Dehydroneotenone
chemical compound
In more languages
default for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
isoflavonoid
0 references
6C-substituted isoflavone
0 references
mass
336.063388104
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₂O₆
0 references
canonical SMILES
COC1=CC2=C(C=C1C3=COC4=C(C3=O)C=C5C=COC5=C4)OCO2
0 references
found in taxon
Neorautanenia mitis
2 references
stated in
Isolation and Structural Elucidation of Potentially Insecticidal and Acaricidal Isoflavone-Type Compounds from Neorautanenia mitis
stated in
Rautandiols A and B, pterocarpans and cytotoxic constituents from Neorautanenia mitis
Pachyrhizus erosus
2 references
stated in
Studies on the constituents of seeds of Pachyrrhizus erosus and their anti herpes simplex virus (HSV) activities
stated in
Constituents of the Insecticidal Resin of the Yam Bean (Pachyrrhizus erosus)1
Pachyrrhizus erosus
2 references
stated in
Constituents of the Insecticidal Resin of the Yam Bean (Pachyrrhizus erosus)1
stated in
Studies on the constituents of seeds of Pachyrrhizus erosus and their anti herpes simplex virus (HSV) activities
Identifiers
InChI
InChI=1S/C19H12O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-8H,9H2,1H3
0 references
InChIKey
HTTTWVGBBAOUEM-UHFFFAOYSA-N
0 references
CAS Registry Number
1242-81-5
1 reference
InChIKey
HTTTWVGBBAOUEM-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1242-81-5
PubChem CID
100751
1 reference
matched by identifier from
InChIKey
InChIKey
HTTTWVGBBAOUEM-UHFFFAOYSA-N
ChEBI ID
174527
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H12O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-8H,9H2,1H3
UniChem compound ID
32008252
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40924756
1 reference
matched by identifier from
InChIKey
InChIKey
HTTTWVGBBAOUEM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID701353592
0 references
NSC number
361415
0 references
Human Metabolome Database ID
HMDB0034129
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HTTTWVGBBAOUEM-UHFFFAOYSA-N
KNApSAcK ID
C00009436
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HTTTWVGBBAOUEM-UHFFFAOYSA-N
UNII
8YEV47XE34
1 reference
matched by identifier from
InChIKey
InChIKey
HTTTWVGBBAOUEM-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12050067
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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