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(Q104945183)
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English
[(3S,8S,9Z)-3-hydroxypentadeca-1,9-dien-4,6-diyn-8-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-hydroxypentadeca-1,9-dien-4,6-diyn-8-yl acetate
1 reference
based on heuristic
inferred from SMILES
mass
274.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3S,8S)-3-hydroxypentadeca-1,9-dien-4,6-diyn-8-yl] acetate
1 reference
based on heuristic
inferred from InChIKey
[(3S,8S,9E)-3-hydroxypentadeca-1,9-dien-4,6-diyn-8-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₂O₃
0 references
canonical SMILES
O=C(OC(C#CC#CC(O)C=C)C=CCCCCC)C
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isomeric SMILES
C=C[C@H](O)C#CC#C[C@H](/C=C\CCCCC)OC(C)=O
0 references
found in taxon
Centella asiatica
1 reference
stated in
Comparative analysis of active constituents in Centella asiatica samples from Madagascar: application for ex situ conservation and clonal propagation
Identifiers
InChI
InChI=1S/C17H22O3/c1-4-6-7-8-9-13-17(20-15(3)18)14-11-10-12-16(19)5-2/h5,9,13,16-17,19H,2,4,6-8H2,1,3H3/b13-9-/t16-,17-/m0/s1
0 references
InChIKey
BSDJVZWJXREWPD-QQGHQYIOSA-N
0 references
PubChem CID
92468365
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BSDJVZWJXREWPD-QQGHQYIOSA-N
UniChem compound ID
104173357
1 reference
stated in
UniChem
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