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(Q105188600)
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English
(1s,9s)-pentacyclo[7.6.6.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹]henicosa-2,4,6,10,12,14,16,18,20-nonaene-3,5,11,13,18,20-hexol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
364.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₆O₆
0 references
canonical SMILES
OC=1C=C(O)C2=C(C1)CC3C=4C(O)=CC(O)=CC4C2C=5C=C(O)C=C(O)C53
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isomeric SMILES
Oc1cc(O)c2c(c1)C[C@H]1c3c(O)cc(O)cc3[C@@H]2c2cc(O)cc(O)c21
1 reference
based on heuristic
inferred from InChI
found in taxon
Senna garrettiana
1 reference
stated in
Chemical studies on the heartwood of Cassia garrettiana Craib. II. Nonanthraquinonic constituents.
Identifiers
InChI
InChI=1S/C21H16O6/c22-9-1-8-2-12-19-13(3-10(23)6-16(19)26)21(18(8)15(25)5-9)14-4-11(24)7-17(27)20(12)14/h1,3-7,12,21-27H,2H2/t12-,21+
0 references
InChIKey
OACBQNTWDQIXGK-UZKDLZAESA-N
0 references
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