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(Q105141557)
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English
8-Hydroxy-3,9-dimethoxypterocarpan
group of stereoisomers with the chemical formula C₁₇H₁₆O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
isoflavane
1 reference
inferred from
isoflavane
mass
300.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₆O₅
0 references
canonical SMILES
OC=1C=C2C(OC3C4=CC=C(OC)C=C4OCC23)=CC1OC
0 references
found in taxon
Pterocarpus soyauxii
1 reference
stated in
Flavonoid analogues from Pterocarpus species
Identifiers
InChI
InChI=1S/C17H16O5/c1-19-9-3-4-10-14(5-9)21-8-12-11-6-13(18)16(20-2)7-15(11)22-17(10)12/h3-7,12,17-18H,8H2,1-2H3
0 references
InChIKey
KIKDCPYSYOMXEJ-UHFFFAOYSA-N
0 references
PubChem CID
454891
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KIKDCPYSYOMXEJ-UHFFFAOYSA-N
ChEBI ID
174863
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H16O5/c1-19-9-3-4-10-14(5-9)21-8-12-11-6-13(18)16(20-2)7-15(11)22-17(10)12/h3-7,12,17-18H,8H2,1-2H3
UniChem compound ID
379411
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0033292
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KIKDCPYSYOMXEJ-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12070057
1 reference
InChIKey
KIKDCPYSYOMXEJ-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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