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(Q110175281)
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English
3-[(2E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,6-dien-1-yl]-4-hydroxybenzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
1 reference
based on heuristic
inferred from SMILES
mass
410.282095076
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₈O₃
0 references
canonical SMILES
O=C(O)C1=CC=C(O)C(=C1)CC=C(C)CCC=C(C)CCC2=C(C)CCCC2(C)C
0 references
isomeric SMILES
CC(=CCC/C(C)=C/Cc1cc(C(=O)O)ccc1O)CCC1=C(C)CCCC1(C)C
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found in taxon
Cacospongia
1 reference
stated in
Extending the record of meroditerpenes from Cacospongia marine sponges.
Identifiers
InChI
InChI=1S/C27H38O3/c1-19(11-13-22-18-23(26(29)30)14-16-25(22)28)8-6-9-20(2)12-15-24-21(3)10-7-17-27(24,4)5/h9,11,14,16,18,28H,6-8,10,12-13,15,17H2,1-5H3,(H,29,30)/b19-11+,20-9?
0 references
InChIKey
QQJLPYXRXOCODZ-BBNDUVFQSA-N
0 references
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