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(Q105101508)
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English
5alpha,7alpha,10betaH-3-Patchoulen-2-one
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
cycloguaiane sesquiterpenoid
0 references
mass
218.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O
0 references
canonical SMILES
O=C1C=C(C)C2CC3CCC(C)C12C3(C)C
0 references
isomeric SMILES
CC1=CC(=O)[C@@]23[C@H]1C[C@@H](CC[C@H]2C)C3(C)C
0 references
found in taxon
Croton arboreus
1 reference
stated in
Three new sesquiterpenes from Croton arboreous
Identifiers
InChI
InChI=1S/C15H22O/c1-9-7-13(16)15-10(2)5-6-11(8-12(9)15)14(15,3)4/h7,10-12H,5-6,8H2,1-4H3/t10-,11-,12+,15+/m1/s1
0 references
InChIKey
BSDFKVHDDFHAFR-FJJYHAOUSA-N
0 references
PubChem CID
21578965
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BSDFKVHDDFHAFR-FJJYHAOUSA-N
UniChem compound ID
42934654
1 reference
stated in
UniChem
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