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(Q77566689)
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English
Orellanine-4,4’-diglucopyranoside
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
576.143882816
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₈N₂O₁₆
0 references
canonical SMILES
O=[N+]1C=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C1=C3C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=CN3[O-]
0 references
found in taxon
Cortinarius orellanus
1 reference
stated in
Occurrence of the fungal toxin orellanine as a diglucoside and investigation of its biosynthesis
Identifiers
InChI
InChI=1S/C22H28N2O16/c25-5-9-15(29)17(31)19(33)21(39-9)37-7-1-3-23(35)11(13(7)27)12-14(28)8(2-4-24(12)36)38-22-20(34)18(32)16(30)10(6-26)40-22/h1-4,9-10,15-22,25-34H,5-6H2
0 references
InChIKey
CUHMKQWODSWBAG-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
139587467
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139587467
language of work or name
English
PubChem CID
139587467
2 references
stated in
PubChem
PubChem CID
139587467
language of work or name
English
matched by identifier from
InChIKey
InChIKey
CUHMKQWODSWBAG-UHFFFAOYSA-N
ChEBI ID
218621
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H28N2O16/c25-5-9-15(29)17(31)19(33)21(39-9)37-7-1-3-23(35)11(13(7)27)12-14(28)8(2-4-24(12)36)38-22-20(34)18(32)16(30)10(6-26)40-22/h1-4,9-10,15-22,25-34H,5-6H2
UniChem compound ID
170910596
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015705
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CUHMKQWODSWBAG-UHFFFAOYSA-N
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