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(Q105349932)
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English
Cupressotropolone B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(3-Hydroxy-3-methylbut-1-enyl)-6-propan-2-yl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohepta-2,4,6-trien-1-one
1 reference
based on heuristic
inferred from SMILES
mass
410.19406792
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
5-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-6-isopropyl-2-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohepta-2,4,6-trien-1-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₀O₈
0 references
canonical SMILES
O=C1C=C(C(=CC=C1OC2OC(CO)C(O)C(O)C2O)C=CC(O)(C)C)C(C)C
0 references
isomeric SMILES
CC(C)c1cc(=O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1/C=C/C(C)(C)O
0 references
found in taxon
Cupressus sempervirens
1 reference
stated in
Antifungal terpenoids produced by cypress after infection by Diplodia pinea f. sp. cupressi
Identifiers
InChI
InChI=1S/C21H30O8/c1-11(2)13-9-14(23)15(6-5-12(13)7-8-21(3,4)27)28-20-19(26)18(25)17(24)16(10-22)29-20/h5-9,11,16-20,22,24-27H,10H2,1-4H3/b8-7+/t16-,17-,18+,19-,20-/m1/s1
0 references
InChIKey
YKWRJWQJGXOUMW-DJLJYXLHSA-N
0 references
PubChem CID
10001595
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YKWRJWQJGXOUMW-DJLJYXLHSA-N
UniChem compound ID
32395285
1 reference
stated in
UniChem
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