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(Q105272613)
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English
[5-[4,5-Dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 6-hydroxy-2,6-dimethylocta-2,7-dienoate
group of stereoisomers with the chemical formula C₂₇H₃₈O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
mass
570.2312412759998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₃₈O₁₃
0 references
canonical SMILES
O=C(OCC1(O)COC(OC2C(O)C(O)C(OC2OC3=CC=C(O)C=C3)CO)C1O)C(=CCCC(O)(C=C)C)C
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Identifiers
InChI
InChI=1S/C27H38O13/c1-4-26(3,34)11-5-6-15(2)23(33)36-13-27(35)14-37-25(22(27)32)40-21-20(31)19(30)18(12-28)39-24(21)38-17-9-7-16(29)8-10-17/h4,6-10,18-22,24-25,28-32,34-35H,1,5,11-14H2,2-3H3
0 references
InChIKey
UGWLQZKGUNBHIP-UHFFFAOYSA-N
0 references
PubChem CID
162968860
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UGWLQZKGUNBHIP-UHFFFAOYSA-N
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