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(Q104911295)
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English
4-[1,4-Dihydroxy-2,2,6-trimethyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]but-3-en-2-one
group of stereoisomers with the chemical formula C₁₉H₃₂O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
megastigmane
1 reference
inferred from
megastigmane
mass
404.2046326039998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₃₂O₉
0 references
canonical SMILES
O=C(C=CC1(O)C(C)C(OC2OC(CO)C(O)C(O)C2O)C(O)CC1(C)C)C
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Identifiers
InChI
InChI=1S/C19H32O9/c1-9(21)5-6-19(26)10(2)16(11(22)7-18(19,3)4)28-17-15(25)14(24)13(23)12(8-20)27-17/h5-6,10-17,20,22-26H,7-8H2,1-4H3
0 references
InChIKey
AFKVBZRHBVTZOW-UHFFFAOYSA-N
0 references
PubChem CID
163040146
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AFKVBZRHBVTZOW-UHFFFAOYSA-N
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