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(Q104921668)
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English
brosimacutin D
group of stereoisomers with the chemical formula C₂₀H₂₀O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
8C-substituted flavanone
1 reference
inferred from
8C-substituted flavanone
flavanone
0 references
mass
340.13107374
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₂₀O₅
0 references
canonical SMILES
O=C1C2=CC=C3OC(C)(C)C(O)CC3=C2OC(C4=CC=C(O)C=C4)C1
0 references
isomeric SMILES
CC1(C)Oc2ccc3c(c2CC1O)O[C@H](c1ccc(O)cc1)CC3=O
0 references
Identifiers
InChI
InChI=1S/C20H20O5/c1-20(2)18(23)9-14-16(25-20)8-7-13-15(22)10-17(24-19(13)14)11-3-5-12(21)6-4-11/h3-8,17-18,21,23H,9-10H2,1-2H3/t17-,18?/m0/s1
0 references
InChIKey
AZGSCHIQUAKTNP-ZENAZSQFSA-N
0 references
PubChem CID
10914766
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AZGSCHIQUAKTNP-ZENAZSQFSA-N
ChEBI ID
192890
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H20O5/c1-20(2)18(23)9-14-16(25-20)8-7-13-15(22)10-17(24-19(13)14)11-3-5-12(21)6-4-11/h3-8,17-18,21,23H,9-10H2,1-2H3/t17-,18?/m0/s1
UniChem compound ID
32142880
1 reference
stated in
UniChem
LIPID MAPS ID
LMPK12140055
1 reference
InChIKey
AZGSCHIQUAKTNP-ZENAZSQFSA-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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