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(Q104396443)
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Cystalgerone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-[4-(2,5-dimethoxy-3-methylphenyl)-2-methylbut-2-en-1-yl]-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-1,2,3,7-tetrahydroinden-4-one
1 reference
based on heuristic
inferred from SMILES
mass
454.308309824
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₂O₄
0 references
canonical SMILES
O=C1C(=C(CC(=CCC=2C=C(OC)C=C(C2OC)C)C)CC3(C)CCCC13C)CC(O)(C)C
0 references
isomeric SMILES
COc1cc(C)c(OC)c(C/C=C(\C)CC2=C(CC(C)(C)O)C(=O)[C@]3(C)CCC[C@]3(C)C2)c1
0 references
found in taxon
Cystoseira baccata
1 reference
stated in
Meroditerpenoids and derivatives from the brown alga Cystoseira baccata and their antifouling properties
Cystophora fibrosa
1 reference
stated in
Tetraprenyltoluquinols from the brown alga Cystophora fibrosa.
Cystoseira algeriensis
2 references
stated in
Cystoketal, a New Metabolite From the Brown Alga Cystoseira balearica
stated in
Five novel tetraprenylhydroquinols from the brown alga Cystoseira algeriensis
Identifiers
InChI
InChI=1S/C29H42O4/c1-19(10-11-21-16-23(32-7)15-20(2)25(21)33-8)14-22-17-28(5)12-9-13-29(28,6)26(30)24(22)18-27(3,4)31/h10,15-16,31H,9,11-14,17-18H2,1-8H3/b19-10+/t28-,29+/m1/s1
0 references
InChIKey
JJJJTQJVJRHYKV-UMPJSDBQSA-N
0 references
PubChem CID
5459022
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
JJJJTQJVJRHYKV-UMPJSDBQSA-N
UniChem compound ID
33042274
1 reference
stated in
UniChem
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