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(Q104202206)
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English
3'-hydroxy-8-O-methylretusin
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
isoflavone
0 references
isoflavonoid
0 references
mass
314.079038168
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₄O₆
0 references
canonical SMILES
O=C1C(=COC2=C(OC)C(O)=CC=C12)C=3C=CC(OC)=C(O)C3
0 references
found in taxon
Monopteryx uaucu
1 reference
stated in
Isoflavone evolution in Monopteryx
Dipteryx odorata
1 reference
stated in
Potential cancer chemopreventive constituents of the seeds of Dipteryx odorata (tonka bean).
Myroxylon balsamum
1 reference
stated in
Isoflavonoids from Myroxylon balsamum☆
Xanthocercis zambesiaca
1 reference
stated in
α-Hydroxydihydrochalcones and related 1,3-diarylpropan-2-ones from Xanthocercis zambesiaca
Dipteryx alata
1 reference
stated in
Chemical Constituents of the Bark of Dipteryx alata Vogel, an Active Species against Bothrops jararacussu Venom
Identifiers
InChI
InChI=1S/C17H14O6/c1-21-14-6-3-9(7-13(14)19)11-8-23-16-10(15(11)20)4-5-12(18)17(16)22-2/h3-8,18-19H,1-2H3
0 references
InChIKey
YYWSNCLFZSMGCM-UHFFFAOYSA-N
0 references
CAS Registry Number
53947-99-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
44257262
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YYWSNCLFZSMGCM-UHFFFAOYSA-N
ChEBI ID
175021
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H14O6/c1-21-14-6-3-9(7-13(14)19)11-8-23-16-10(15(11)20)4-5-12(18)17(16)22-2/h3-8,18-19H,1-2H3
UniChem compound ID
368840
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401277850
1 reference
matched by identifier from
InChIKey
InChIKey
YYWSNCLFZSMGCM-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0037918
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YYWSNCLFZSMGCM-UHFFFAOYSA-N
KNApSAcK ID
C00009408
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YYWSNCLFZSMGCM-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12050140
1 reference
InChIKey
YYWSNCLFZSMGCM-UHFFFAOYSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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