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(Q54805668)
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shizukanolide C
sesquiterpenoid
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Statements
instance of
type of chemical entity
0 references
subclass of
cycloeudesmane sesquiterpenoid
0 references
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1S,9R,10R,12S,13R)-13-(hydroxymethyl)-4,9-dimethyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
CC1=C2CC3C(C4CC4C3(C=C2OC1=O)C)CO
1 reference
reference URL
https://pubchem.ncbi.nlm.nih.gov/compound/124708052#section=Canonical-SMILES
isomeric SMILES
CC1=C2C[C@H]3[C@@H]([C@H]4C[C@H]4[C@@]3(C=C2OC1=O)C)CO
1 reference
reference URL
https://pubchem.ncbi.nlm.nih.gov/compound/124708052#section=Isomeric-SMILES
found in taxon
Chloranthus serratus
2 references
stated in
Structures of Novel Sesquiterpene Ketones fromChloranthus serratus(Chloranthaceae)
stated in
Structures of Novel Sesquiterpene Ketones fromChloranthus serratus(Chloranthaceae)
Identifiers
InChI
InChI=1S/C15H18O3/c1-7-8-3-12-10(6-16)9-4-11(9)15(12,2)5-13(8)18-14(7)17/h5,9-12,16H,3-4,6H2,1-2H3/t9-,10-,11-,12+,15+/m1/s1
0 references
InChIKey
XZHCTKZHBRTLRU-CYRTVHNOSA-N
0 references
PubChem CID
124708052
1 reference
matched by identifier from
InChIKey
InChIKey
XZHCTKZHBRTLRU-CYRTVHNOSA-N
UniChem compound ID
151212131
1 reference
stated in
UniChem
Vietherb metabolite ID
1424
0 references
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