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Fumaritine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinoline]-7',8-diol, 3',4',6,8-tetrahydro-6'-methoxy-2'-methyl-, (7S-trans)-
1 reference
based on heuristic
inferred from SMILES
mass
355.141972772
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
CID 21627986
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₁NO₅
0 references
canonical SMILES
OC=1C=C2C(=CC1OC)CCN(C)C23CC4=CC=C5OCOC5=C4C3O
0 references
isomeric SMILES
COc1cc2c(cc1O)[C@@]1(Cc3ccc4c(c3[C@H]1O)OCO4)N(C)CC2
0 references
found in taxon
Fumaria schleicheri
1 reference
stated in
Fumschleicherine, an alkaloid of Fumaria schleicheri
Fumaria officinalis
1 reference
stated in
Alkaloids of fumariaceous plants. LVII. Miscellaneous observations
Fumaria indica
1 reference
stated in
Alkaloids of Fumaria indica
Identifiers
InChI
InChI=1S/C20H21NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,19,22-23H,5-6,9-10H2,1-2H3/t19-,20-/m1/s1
0 references
InChIKey
YUIGSRGRYOBFRF-WOJBJXKFSA-N
0 references
PubChem CID
12309932
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
103064441
1 reference
stated in
UniChem
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