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(Q110081635)
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English
2'-O-methylphaseollinisoflavan
group of stereoisomers with the chemical formula C₂₁H₂₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
3'C-prenylisoflavane
1 reference
based on heuristic
inferred from SMILES
mass
338.1518091839999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₂O₄
0 references
canonical SMILES
OC1=CC=C2C(OCC(C3=CC=C4OC(C=CC4=C3OC)(C)C)C2)=C1
0 references
Identifiers
InChI
InChI=1S/C21H22O4/c1-21(2)9-8-17-18(25-21)7-6-16(20(17)23-3)14-10-13-4-5-15(22)11-19(13)24-12-14/h4-9,11,14,22H,10,12H2,1-3H3
0 references
InChIKey
CSEWDTXNCZLZIW-UHFFFAOYSA-N
0 references
CAS Registry Number
49594-01-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
44257509
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CSEWDTXNCZLZIW-UHFFFAOYSA-N
UniChem compound ID
51820332
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201161025
1 reference
matched by identifier from
InChIKey
InChIKey
CSEWDTXNCZLZIW-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12080015
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
15 January 2022
InChIKey
CSEWDTXNCZLZIW-UHFFFAOYSA-N
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