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(Q83004708)
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Pessoine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
berberine alkaloids
0 references
mass
313.131408088
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₉NO₄
0 references
canonical SMILES
OC=1C=C2C(=CC1O)CC3C4=CC(O)=C(OC)C=C4CCN3C2
0 references
isomeric SMILES
COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O
0 references
found in taxon
Annona spinescens
3 references
stated in
Pessoine and spinosine, two catecholic berbines from Annona spinescens
stated in
Pessoine and spinosine, two catecholic berbines from Annona spinescens
stated in
Pessoine and spinosine, two catecholic berbines from Annona spinescens
Identifiers
InChI
InChI=1S/C18H19NO4/c1-23-18-7-10-2-3-19-9-12-6-16(21)15(20)5-11(12)4-14(19)13(10)8-17(18)22/h5-8,14,20-22H,2-4,9H2,1H3/t14-/m0/s1
0 references
InChIKey
NZFYGBOUVBINBH-AWEZNQCLSA-N
0 references
CAS Registry Number
88668-29-5
0 references
PubChem CID
181940
1 reference
matched by identifier from
InChIKey
InChIKey
NZFYGBOUVBINBH-AWEZNQCLSA-N
UniChem compound ID
241100
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901008296
1 reference
matched by identifier from
InChIKey
InChIKey
NZFYGBOUVBINBH-AWEZNQCLSA-N
DSSTOX compound identifier
DTXCID601435135
0 references
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