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(Q105228535)
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English
[5-Hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl] 2-hydroxy-3-methylbutanoate
group of stereoisomers with the chemical formula C₂₇H₄₂O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
eudesmane sesquiterpenoid
1 reference
inferred from
eudesmane sesquiterpenoid
mass
558.2676267839997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₄₂O₁₂
0 references
canonical SMILES
O=C(OC)C(=C)C1CCC2(C)C(OC(=O)C(O)C(C)C)CCC(=COC3OC(CO)C(O)C(O)C3O)C2C1O
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Identifiers
InChI
InChI=1S/C27H42O12/c1-12(2)19(29)25(35)39-17-7-6-14(11-37-26-23(33)22(32)21(31)16(10-28)38-26)18-20(30)15(8-9-27(17,18)4)13(3)24(34)36-5/h11-12,15-23,26,28-33H,3,6-10H2,1-2,4-5H3
0 references
InChIKey
QVAZATUUVHRGFL-UHFFFAOYSA-N
0 references
PubChem CID
162885697
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QVAZATUUVHRGFL-UHFFFAOYSA-N
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