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(Q105288132)
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English
[3,4,5-trihydroxy-6-[(4-hydroxy-3,6-dimethyl-2-oxo-3a,4,5,7,9a,9b-hexahydro-3H-azuleno[8,7-b]furan-9-yl)methoxy]oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
group of stereoisomers with the chemical formula C₂₉H₃₆O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
guaiane sesquiterpenoid
1 reference
inferred from
guaiane sesquiterpenoid
mass
560.2257619719998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₃₆O₁₁
0 references
canonical SMILES
O=C(OCC1OC(OCC2=CCC3=C(C)CC(O)C4C(OC(=O)C4C)C23)C(O)C(O)C1O)CC5=CC=C(O)C=C5
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Identifiers
InChI
InChI=1S/C29H36O11/c1-13-9-19(31)22-14(2)28(36)40-27(22)23-16(5-8-18(13)23)11-38-29-26(35)25(34)24(33)20(39-29)12-37-21(32)10-15-3-6-17(30)7-4-15/h3-7,14,19-20,22-27,29-31,33-35H,8-12H2,1-2H3
0 references
InChIKey
VKVWKJOINFYMQJ-UHFFFAOYSA-N
0 references
PubChem CID
162930546
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VKVWKJOINFYMQJ-UHFFFAOYSA-N
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