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(Q76416500)
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Semiglabrinol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
15-Hydroxy-14,14-dimethyl-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),4,8-tetraen-6-one
1 reference
based on heuristic
inferred from SMILES
mass
350.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
pseudosemiglabrinol
1 reference
based on heuristic
inferred from InChI
7abeta,9,10,10abeta-Tetrahydro-10beta-hydroxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₁₈O₅
0 references
canonical SMILES
O=C1C=C(OC=2C1=CC=C3OC4OC(C)(C)C(O)C4C32)C=5C=CC=CC5
0 references
isomeric SMILES
CC1([C@@H]([C@@H]2[C@H](O1)OC3=C2C4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5)O)C
0 references
found in taxon
Tephrosia apollinea
3 references
stated in
Natural occurrence of Tephrosia flavones
stated in
Natural occurrence of Tephrosia flavones
stated in
Natural occurrence of Tephrosia flavones
Tephrosia semiglabra
1 reference
stated in
8-Substituted flavonoids and 3′-substituted 7-oxygenated chalcones from Tephrosia purpurea
Tephrosia
1 reference
stated in
Flavonoids from Tephrosia—VI
Tephrosia purpurea
1 reference
stated in
8-Substituted flavonoids and 3′-substituted 7-oxygenated chalcones from Tephrosia purpurea
Identifiers
InChI
InChI=1S/C21H18O5/c1-21(2)19(23)17-16-14(25-20(17)26-21)9-8-12-13(22)10-15(24-18(12)16)11-6-4-3-5-7-11/h3-10,17,19-20,23H,1-2H3/t17-,19-,20+/m1/s1
0 references
InChIKey
XBKLVCYSINXGAW-RLLQIKCJSA-N
0 references
PubChem CID
11035494
1 reference
matched by identifier from
InChIKey
InChIKey
XBKLVCYSINXGAW-RLLQIKCJSA-N
ChEBI ID
188973
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H18O5/c1-21(2)19(23)17-16-14(25-20(17)26-21)9-8-12-13(22)10-15(24-18(12)16)11-6-4-3-5-7-11/h3-10,17,19-20,23H,1-2H3/t17-,19-,20+/m1/s1
UniChem compound ID
34238451
1 reference
stated in
UniChem
LIPID MAPS ID
LMPK12110015
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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