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(Q105368817)
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English
(3-Hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl) 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₉H₃₃NO₉
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Statements
instance of
group of stereoisomers
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subclass of
hasubanan alkaloid
1 reference
inferred from
hasubanan alkaloid
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
539.215531636
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₃₃NO₉
0 references
canonical SMILES
O=C(OC1CC23C4=C(O)C(OC)=CC=C4C5OC(OC)(C1OC)C3(NCC2)C5)C=CC6=CC=C(OC)C(O)=C6
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Identifiers
InChI
InChI=1S/C29H33NO9/c1-34-19-8-5-16(13-18(19)31)6-10-23(32)38-22-14-27-11-12-30-28(27)15-21(39-29(28,37-4)26(22)36-3)17-7-9-20(35-2)25(33)24(17)27/h5-10,13,21-22,26,30-31,33H,11-12,14-15H2,1-4H3
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InChIKey
YYOXLLHHBARIFS-UHFFFAOYSA-N
0 references
PubChem CID
421510
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
48712827
1 reference
stated in
UniChem
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