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(Q105141220)
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English
Monohydroxyisoaflavinine
group of stereoisomers with the chemical formula C₂₈H₃₉NO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
indole alkaloid
1 reference
inferred from
indole alkaloid
mass
421.298079488
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₃₉NO₂
0 references
canonical SMILES
OC1CCC(C)C2(C)C(O)CC(C)C3C(C4=CNC=5C=CC=CC54)C(C(=C)C)CCC132
0 references
found in taxon
Aspergillus flavus
1 reference
stated in
Isolation and structures of two new indoloditerpenes related to aflavinine from a microsclerotium-producing strain of Aspergillus flavus.
Identifiers
InChI
InChI=1S/C28H39NO2/c1-16(2)19-12-13-28-23(30)11-10-18(4)27(28,5)24(31)14-17(3)26(28)25(19)21-15-29-22-9-7-6-8-20(21)22/h6-9,15,17-19,23-26,29-31H,1,10-14H2,2-5H3
0 references
InChIKey
KHMAONVROPNUDX-UHFFFAOYSA-N
0 references
PubChem CID
14188979
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KHMAONVROPNUDX-UHFFFAOYSA-N
ChEBI ID
201704
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H39NO2/c1-16(2)19-12-13-28-23(30)11-10-18(4)27(28,5)24(31)14-17(3)26(28)25(19)21-15-29-22-9-7-6-8-20(21)22/h6-9,15,17-19,23-26,29-31H,1,10-14H2,2-5H3
UniChem compound ID
76249616
1 reference
stated in
UniChem
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