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(Q104395630)
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English
(9S)-5-hydroxy-4,15,16-trimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-10-ium
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
5-Hydroxy-4,15,16-trimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-10-ium
1 reference
based on heuristic
inferred from SMILES
mass
356.18563473209
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Xanthoplanine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆NO₄⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
OC1=CC2=C(C=C1OC)C3=C(OC)C(OC)=CC4=C3C(C2)[N+](C)(C)CC4
0 references
isomeric SMILES
COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[N+]1(C)C
0 references
found in taxon
Thalictrum foliolosum
1 reference
stated in
Quaternary alkaloids of Thalictrum foliolosum
Litsea cubeba
1 reference
stated in
Quaternary Alkaloids from Litsea cubeba and Cryptocarya konishii
Dehaasia incrassata
1 reference
stated in
Alkaloids of Dehaasia triandra
Xylopia parviflora
1 reference
stated in
Quaternary isoquinoline alkaloids from Xylopia parviflora
Magnolia officinalis
1 reference
stated in
Identification of minor lignans, alkaloids, and phenylpropanoid glycosides in Magnolia officinalis by HPLC‒DAD‒QTOF-MS/MS
Identifiers
InChI
InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1
0 references
InChIKey
FGUCOPALAZXICJ-HNNXBMFYSA-O
0 references
CAS Registry Number
6872-88-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14262868
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
175585
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
505887
1 reference
stated in
UniChem
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