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(Q105339039)
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Todomatuic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
bisabolanes
0 references
mass
252.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Epitodomatuic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₄O₃
0 references
canonical SMILES
O=C(O)C1=CCC(CC1)C(C)CC(=O)CC(C)C
0 references
isomeric SMILES
CC(C)CC(=O)C[C@@H](C)[C@H]1CC=C(C(=O)O)CC1
0 references
found in taxon
Abies sachalinensis
1 reference
stated in
Juvabione and its analogues.: IV. Isolation, identification, and occurrence of juvabione, juvabiol, and epijuvabiol from the whole wood of Abies lasiocarpa
Identifiers
InChI
InChI=1S/C15H24O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,10-12H,4-5,7-9H2,1-3H3,(H,17,18)/t11-,12+/m1/s1
0 references
InChIKey
XPXCWUPURKUWHC-NEPJUHHUSA-N
0 references
PubChem CID
25200652
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XPXCWUPURKUWHC-NEPJUHHUSA-N
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