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(Q104397423)
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English
Metacycloprodigiosin
group of stereoisomers with the chemical formula C₂₅H₃₃N₃O
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
391.262362676
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₃N₃O
0 references
canonical SMILES
N=1C(=CC=2NC3=CC2C(CC)CCCCCCCC3)C(OC)=CC1C4=CC=CN4
0 references
isomeric SMILES
CCC1CCCCCCCCc2cc1c(/C=C1\N=C(c3ccc[nH]3)C=C1OC)[nH]2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H33N3O/c1-3-18-11-8-6-4-5-7-9-12-19-15-20(18)22(27-19)16-24-25(29-2)17-23(28-24)21-13-10-14-26-21/h10,13-18,26-27H,3-9,11-12H2,1-2H3/b24-16-
0 references
InChIKey
XEPVVPTUOMXJRW-JLPGSUDCSA-N
0 references
PubChem CID
135475665
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
XEPVVPTUOMXJRW-JLPGSUDCSA-N
UniChem compound ID
1131247
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA012289
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XEPVVPTUOMXJRW-JLPGSUDCSA-N
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