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(Q76416954)
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Brosimacutin G
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-[3,4-Dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
1 reference
based on heuristic
inferred from SMILES
mass
356.12598836
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(E)-1-[(2R,3R)-3,4-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₀O₆
0 references
canonical SMILES
O=C(C=CC1=CC=C(O)C=C1)C2=CC=C3OC(C(O)C3=C2O)C(O)(C)C
0 references
isomeric SMILES
CC(C)([C@@H]1[C@H](C2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC=C(C=C3)O)O)O
0 references
found in taxon
Brosimum acutifolium
3 references
stated in
Brosimacutins A-I, nine new flavonoids from Brosimum acutifolium
stated in
Brosimacutins A-I, nine new flavonoids from Brosimum acutifolium
stated in
Brosimacutins A-I, nine new flavonoids from Brosimum acutifolium
Identifiers
InChI
InChI=1S/C20H20O6/c1-20(2,25)19-18(24)16-15(26-19)10-8-13(17(16)23)14(22)9-5-11-3-6-12(21)7-4-11/h3-10,18-19,21,23-25H,1-2H3/b9-5+/t18-,19-/m0/s1
0 references
InChIKey
KJPLNWFZFTXFPY-FQMXMGHCSA-N
0 references
PubChem CID
11325738
1 reference
matched by identifier from
InChIKey
InChIKey
KJPLNWFZFTXFPY-FQMXMGHCSA-N
ChEBI ID
186168
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H20O6/c1-20(2,25)19-18(24)16-15(26-19)10-8-13(17(16)23)14(22)9-5-11-3-6-12(21)7-4-11/h3-10,18-19,21,23-25H,1-2H3/b9-5+/t18-,19-/m0/s1
UniChem compound ID
32726742
1 reference
stated in
UniChem
LIPID MAPS ID
LMPK12120035
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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