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(Q105122841)
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English
5-hydroxy-3,8a-dimethyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
group of stereoisomers with the chemical formula C₂₁H₃₂O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
eudesmane sesquiterpenoid
1 reference
inferred from
eudesmane sesquiterpenoid
mass
428.20463260399976
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₂O₉
0 references
canonical SMILES
O=C1OC2C(=C1C)CC3C(O)(COC4OC(CO)C(O)C(O)C4O)CCCC3(C)C2
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Identifiers
InChI
InChI=1S/C21H32O9/c1-10-11-6-14-20(2,7-12(11)29-18(10)26)4-3-5-21(14,27)9-28-19-17(25)16(24)15(23)13(8-22)30-19/h12-17,19,22-25,27H,3-9H2,1-2H3
0 references
InChIKey
IYNKLNZIARHEHE-UHFFFAOYSA-N
0 references
PubChem CID
74817735
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IYNKLNZIARHEHE-UHFFFAOYSA-N
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