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(Q105182167)
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English
4,5,17-Trihydroxy-14,18-dimethyl-6-methylidene-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
group of stereoisomers with the chemical formula C₂₆H₃₆O₁₂
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Statements
instance of
group of stereoisomers
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subclass of
picrasane
1 reference
inferred from
picrasane
mass
540.2206765919997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₃₆O₁₂
0 references
canonical SMILES
O=C1OC2CC3C(=CC(OC4OC(CO)C(O)C(O)C4O)C(O)C3(C)C5C6(O)OCC25C(C(=C)C6O)C1)C
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Identifiers
InChI
InChI=1S/C26H36O12/c1-9-4-13(36-22-19(31)18(30)17(29)14(7-27)37-22)21(33)24(3)11(9)5-15-25-8-35-26(34,23(24)25)20(32)10(2)12(25)6-16(28)38-15/h4,11-15,17-23,27,29-34H,2,5-8H2,1,3H3
0 references
InChIKey
NNJOUYDCJDTDEP-UHFFFAOYSA-N
0 references
PubChem CID
163041060
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NNJOUYDCJDTDEP-UHFFFAOYSA-N
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