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(Q105213969)
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English
[6-Hydroxy-2-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 6-hydroxy-2,6-dimethylocta-2,7-dienoate
group of stereoisomers with the chemical formula C₂₅H₃₆O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
mass
528.2206765919997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₆O₁₂
0 references
canonical SMILES
O=C(OC1C2OC2(C)C3C(OC=CC13O)OC4OC(CO)C(O)C(O)C4O)C(=CCCC(O)(C=C)C)C
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Identifiers
InChI
InChI=1S/C25H36O12/c1-5-23(3,31)8-6-7-12(2)20(30)35-19-18-24(4,37-18)17-22(33-10-9-25(17,19)32)36-21-16(29)15(28)14(27)13(11-26)34-21/h5,7,9-10,13-19,21-22,26-29,31-32H,1,6,8,11H2,2-4H3
0 references
InChIKey
PRWWZXHOHQRKDQ-UHFFFAOYSA-N
0 references
PubChem CID
74105475
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PRWWZXHOHQRKDQ-UHFFFAOYSA-N
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