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English
Cymobarbatol
bioactive natural product
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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
4-Isocymobarbatol
1 reference
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
C[C@@]12CC[C@@H](C([C@@H]1CC3=CC(=C(C=C3O2)Br)O)(C)C)Br
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-OFQRWUPVSA-N
2 references
stated in
PubChem
PubChem CID
130296
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
130296
language of work or name
English
CAS Registry Number
124962-11-4
0 references
PubChem CID
130296
2 references
stated in
PubChem
PubChem CID
130296
language of work or name
English
matched by identifier from
InChIKey
InChIKey
ALTFOIOEOXFNOO-OFQRWUPVSA-N
ChEBI ID
225147
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
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
UniChem compound ID
610724
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60924975
1 reference
matched by identifier from
InChIKey
InChIKey
ALTFOIOEOXFNOO-OFQRWUPVSA-N
DSSTOX compound identifier
DTXCID601353806
0 references
Natural Product Atlas ID
NPA016993
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ALTFOIOEOXFNOO-OFQRWUPVSA-N
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