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(Q104977535)
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English
4,5-seco-Guaiane
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-Hydroxy-2,11-dimethyl-8-propan-2-yl-1-oxaspiro[4.6]undec-7-en-6-one
1 reference
based on heuristic
inferred from SMILES
mass
252.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₄O₃
0 references
canonical SMILES
O=C1C=C(CCC(C)C21OC(O)(C)CC2)C(C)C
0 references
isomeric SMILES
CC(C)C1=CC(=O)[C@@]2(CC[C@](C)(O)O2)[C@@H](C)CC1
0 references
found in taxon
Pellia epiphylla
1 reference
stated in
Terpenoid constituents of Pellia epiphylla
Identifiers
InChI
InChI=1S/C15H24O3/c1-10(2)12-6-5-11(3)15(13(16)9-12)8-7-14(4,17)18-15/h9-11,17H,5-8H2,1-4H3/t11-,14+,15+/m0/s1
0 references
InChIKey
DEUKUKOYCDQWBC-NILFDRSVSA-N
0 references
PubChem CID
101938875
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
DEUKUKOYCDQWBC-NILFDRSVSA-N
UniChem compound ID
97145247
1 reference
stated in
UniChem
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