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(Q105353121)
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English
2-[[8-Hydroxy-1,6-dimethyl-4-propan-2-yl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
group of stereoisomers with the chemical formula C₂₇H₄₂O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
cadinane sesquiterpenoid
1 reference
inferred from
cadinane sesquiterpenoid
mass
574.2625414039998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₄₂O₁₃
0 references
canonical SMILES
OC=1C(OC2OC(CO)C(O)C(O)C2O)=C(C=C3C1C(C)C(OC4OC(CO)C(O)C(O)C4O)CC3C(C)C)C
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Identifiers
InChI
InChI=1S/C27H42O13/c1-9(2)12-6-14(37-26-23(35)21(33)18(30)15(7-28)38-26)11(4)17-13(12)5-10(3)25(20(17)32)40-27-24(36)22(34)19(31)16(8-29)39-27/h5,9,11-12,14-16,18-19,21-24,26-36H,6-8H2,1-4H3
0 references
InChIKey
YRVIELBGQOBLNE-UHFFFAOYSA-N
0 references
PubChem CID
162919832
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YRVIELBGQOBLNE-UHFFFAOYSA-N
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