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(Q82904236)
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English
4,7-Epoxy-1H-cycloprop(e)azulene, decahydro-1,1,4,7-tetramethyl-, (1aalpha,4alpha,4abeta,7alpha,7abeta,7balpha)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
aromadrendrane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
220.182715388
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,2R,3S,5S,8S,10S)-4,4,8,10-tetramethyl-9-oxatetracyclo[6.4.0.02,10.03,5]dodecane
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₄O
0 references
canonical SMILES
O1C2(C)CCC3C(C4C2CCC14C)C3(C)C
0 references
isomeric SMILES
C[C@]12CC[C@@H]3[C@@H](C3(C)C)[C@H]4[C@@H]1CC[C@]4(O2)C
0 references
found in taxon
Valeriana officinalis
1 reference
stated in
Sesquiterpenoids and lignans from the roots of Valeriana officinalis L
Identifiers
InChI
InChI=1S/C15H24O/c1-13(2)9-5-7-14(3)10-6-8-15(4,16-14)12(10)11(9)13/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12-,14+,15-/m1/s1
0 references
InChIKey
XMYINGMBVGGPBQ-CLMGUBIUSA-N
0 references
CAS Registry Number
136379-74-3
0 references
PubChem CID
178319
1 reference
matched by identifier from
InChIKey
InChIKey
XMYINGMBVGGPBQ-CLMGUBIUSA-N
UniChem compound ID
42227733
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00929368
1 reference
matched by identifier from
InChIKey
InChIKey
XMYINGMBVGGPBQ-CLMGUBIUSA-N
DSSTOX compound identifier
DTXCID701358116
0 references
KNApSAcK ID
C00059744
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XMYINGMBVGGPBQ-CLMGUBIUSA-N
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