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(Q105216382)
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English
(8E,22E)-4,26-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.3.1.1³,⁷]nonacosa-1(28),3(29),4,6,8,10,20,22,24,26-decaene-10,21,27-triol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cinnamoylamide alkaloid
0 references
mass
495.236935776
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₃N₃O₆
0 references
canonical SMILES
COc1ccc2cc1Oc1cc(cc(OC)c1O)C=CC(=O)NCCCCNCCCNC(=O)C=C2
0 references
isomeric SMILES
COc1ccc2cc1Oc1cc(cc(OC)c1O)/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/2
1 reference
based on heuristic
inferred from InChI
found in taxon
rapeseed
1 reference
stated in
Formation of a complex pattern of sinapate esters in Brassica napus seeds, catalyzed by enzymes of a serine carboxypeptidase-like acyltransferase family?
Identifiers
InChI
InChI=1S/C27H33N3O6/c1-34-21-9-6-19-7-10-25(31)30-15-5-13-28-12-3-4-14-29-26(32)11-8-20-17-23(35-2)27(33)24(18-20)36-22(21)16-19/h6-11,16-18,28,33H,3-5,12-15H2,1-2H3,(H,29,32)(H,30,31)/b10-7+,11-8+
0 references
InChIKey
PXTQTPSOXAZCQC-AMMQDNIMSA-N
0 references
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