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(Q105381167)
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English
7-Acetyloxy-9-(4-carboxypenta-1,3-dienyl)-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylic acid
group of stereoisomers with the chemical formula C₂₂H₂₆O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
sphenolobane diterpenoid
1 reference
inferred from
sphenolobane diterpenoid
mass
418.162767792
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₆O₈
0 references
canonical SMILES
O=C(O)C(=CC=CC1(OC(=O)C23CC=C(C(=O)O)CCC3(OC(=O)C)C1CC2)C)C
0 references
Identifiers
InChI
InChI=1S/C22H26O8/c1-13(17(24)25)5-4-9-20(3)16-8-11-21(19(28)30-20)10-6-15(18(26)27)7-12-22(16,21)29-14(2)23/h4-6,9,16H,7-8,10-12H2,1-3H3,(H,24,25)(H,26,27)
0 references
InChIKey
ZPSQWDVEMDWXPJ-UHFFFAOYSA-N
0 references
PubChem CID
78412051
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZPSQWDVEMDWXPJ-UHFFFAOYSA-N
UniChem compound ID
83567523
1 reference
stated in
UniChem
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