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4-Isocymobarbatol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
401.98300408
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Cymobarbatol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₀Br₂O₂
0 references
canonical SMILES
BrC=1C=C2OC3(C)CCC(Br)C(C)(C)C3CC2=CC1O
0 references
isomeric SMILES
CC1(C)[C@@H](Br)CC[C@]2(C)Oc3cc(Br)c(O)cc3C[C@@H]12
0 references
found in taxon
Cymopolia barbata
3 references
stated in
Plant antimutagenic agents, 7. Structure and antimutagenic properties of cymobarbatol and 4-isocymobarbatol, new cymopols from green alga (Cymopolia barbata).
stated in
Antimutagenic agents from natural products
stated in
Debromoisocymobarbatol, a new chromanol feeding deterrent from the marine alga Cymopolia barbata
Identifiers
InChI
InChI=1S/C16H20Br2O2/c1-15(2)13-7-9-6-11(19)10(17)8-12(9)20-16(13,3)5-4-14(15)18/h6,8,13-14,19H,4-5,7H2,1-3H3/t13-,14-,16-/m0/s1
0 references
InChIKey
ALTFOIOEOXFNOO-DZKIICNBSA-N
0 references
PubChem CID
147829
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ALTFOIOEOXFNOO-DZKIICNBSA-N
UniChem compound ID
93595
1 reference
stated in
UniChem
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