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(Q105133986)
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English
1-Hydroxyrutacridone epoxide
group of stereoisomers with the chemical formula C₁₉H₁₇NO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
acridone alkaloid
1 reference
inferred from
acridone alkaloid
mass
339.110672644
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₇NO₅
0 references
canonical SMILES
O=C1C=2C=CC=CC2N(C=3C1=C(O)C=C4OC(C(O)C43)C5(OC5)C)C
0 references
found in taxon
Ruta graveolens
3 references
stated in
New Furoacridone Alkaloids from Tissue Culture of Ruta graveolens
stated in
Elicitor-Induced Accumulation of Acridone Alkaloid Epoxides in Ruta graveolens Suspension Cultures
stated in
Weitere acridon-alkaloide aus Ruta graveolens
Identifiers
InChI
InChI=1S/C19H17NO5/c1-19(8-24-19)18-17(23)14-12(25-18)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3
0 references
InChIKey
JRMIBKXNMDYCPR-UHFFFAOYSA-N
0 references
CAS Registry Number
101330-59-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
131751445
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
JRMIBKXNMDYCPR-UHFFFAOYSA-N
ChEBI ID
174561
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H17NO5/c1-19(8-24-19)18-17(23)14-12(25-18)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3
UniChem compound ID
32015843
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401123704
1 reference
matched by identifier from
InChIKey
InChIKey
JRMIBKXNMDYCPR-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0033520
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JRMIBKXNMDYCPR-UHFFFAOYSA-N
KNApSAcK ID
C00056342
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JRMIBKXNMDYCPR-UHFFFAOYSA-N
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