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(Q82437422)
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English
(6R)-1,5,5,9-Tetramethylspiro[5.5]undeca-1,8-dien-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1,5,5,9-tetramethylspiro[5.5]undeca-1,8-dien-3-one
1 reference
based on heuristic
inferred from SMILES
mass
218.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(6S)-1,5,5,9-Tetramethylspiro[5.5]undeca-1,8-dien-3-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O
0 references
canonical SMILES
O=C1C=C(C)C2(CC=C(C)CC2)C(C)(C)C1
0 references
isomeric SMILES
CC1=CC[C@@]2(CC1)C(=CC(=O)CC2(C)C)C
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found in taxon
Marchantia polymorpha
2 references
stated in
Ent-sesquiterpenoids and cyclic bis(bibenzyls) from the german liverwort Marchantia Polymorpha
stated in
Ent-sesquiterpenoids and cyclic bis(bibenzyls) from the german liverwort Marchantia Polymorpha
Laurencia obtusa
1 reference
stated in
Chamigrane metabolites from Laurencia obtusa and L. scoparia
Laurencia dendroidea
1 reference
stated in
Chamigrane metabolites from Laurencia obtusa and L. scoparia
Identifiers
InChI
InChI=1S/C15H22O/c1-11-5-7-15(8-6-11)12(2)9-13(16)10-14(15,3)4/h5,9H,6-8,10H2,1-4H3/t15-/m1/s1
0 references
InChIKey
SNJATGMAHZJTNR-OAHLLOKOSA-N
0 references
CAS Registry Number
61661-47-0
0 references
PubChem CID
14108777
1 reference
matched by identifier from
InChIKey
InChIKey
SNJATGMAHZJTNR-OAHLLOKOSA-N
UniChem compound ID
33268401
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00555964
1 reference
matched by identifier from
InChIKey
InChIKey
SNJATGMAHZJTNR-OAHLLOKOSA-N
DSSTOX compound identifier
DTXCID30506747
0 references
LIPID MAPS ID
LMPR0103670005
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
15 April 2024
InChIKey
SNJATGMAHZJTNR-OAHLLOKOSA-N
based on heuristic
InChIKey match
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