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(Q105377766)
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English
(5S,6S)-5,16-dihydroxy-6-(2-hydroxypropan-2-yl)-7,11,19-trioxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-20-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8C-prenylcoumestan
1 reference
based on heuristic
inferred from SMILES
mass
368.089602852
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₆O₇
0 references
canonical SMILES
O=C1OC=2C=C(O)C=CC2C=3OC4=CC=5OC(C(O)C5C=C4C13)C(O)(C)C
0 references
isomeric SMILES
CC(C)(O)[C@H]1Oc2cc3oc4c5ccc(O)cc5oc(=O)c4c3cc2[C@@H]1O
0 references
found in taxon
Cullen corylifolia
1 reference
stated in
Bioactive Metabolites from the Fruits of Psoralea corylifolia
Cullen corylifolium
1 reference
stated in
Bioactive Metabolites from the Fruits of Psoralea corylifolia
Identifiers
InChI
InChI=1S/C20H16O7/c1-20(2,24)18-16(22)11-6-10-13(7-14(11)26-18)25-17-9-4-3-8(21)5-12(9)27-19(23)15(10)17/h3-7,16,18,21-22,24H,1-2H3/t16-,18-/m0/s1
0 references
InChIKey
ZJBOZZWXWWQLRJ-WMZOPIPTSA-N
0 references
PubChem CID
122177580
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZJBOZZWXWWQLRJ-WMZOPIPTSA-N
UniChem compound ID
147968687
1 reference
stated in
UniChem
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