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(Q104998786)
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English
(2,6,10,19-Tetrahydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl) benzoate
group of stereoisomers with the chemical formula C₂₇H₃₁NO₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
atidane / atisine / hetisan type alkaloid
1 reference
inferred from
atidane / atisine / hetisan type alkaloid
tropane alkaloids
1 reference
inferred from
tropane alkaloids
mass
465.215137712
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₁NO₆
0 references
canonical SMILES
O=C(OC1CC2(C)C(O)N3C4CC56CC(=C)C7C(O)C6C3C(C1O)(C5C7O)C42)C=8C=CC=CC8
0 references
found in taxon
Delphinium grandiflorum
1 reference
stated in
Chemical structure 7. dBRD9-A.
Identifiers
InChI
InChI=1S/C27H31NO6/c1-11-8-26-9-13-19-25(2)10-14(34-23(32)12-6-4-3-5-7-12)22(31)27(19)20(26)18(30)15(11)17(29)16(26)21(27)28(13)24(25)33/h3-7,13-22,24,29-31,33H,1,8-10H2,2H3
0 references
InChIKey
FOIIZKLTJIQQGX-UHFFFAOYSA-N
0 references
PubChem CID
163104022
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FOIIZKLTJIQQGX-UHFFFAOYSA-N
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