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(Q77567668)
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English
Bicoumanigrin
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
410.100167536
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₁₈O₈
0 references
canonical SMILES
CC1=CC(=CC2=C1C(=C(C(=O)O2)C3=C(C4=C(C=C(C=C4C)OC)OC3=O)OC)O)O
0 references
found in taxon
Aspergillus niger
1 reference
stated in
New natural products from the sponge-derived fungus Aspergillus niger
Identifiers
InChI
InChI=1S/C22H18O8/c1-9-5-11(23)7-13-15(9)19(24)17(21(25)29-13)18-20(28-4)16-10(2)6-12(27-3)8-14(16)30-22(18)26/h5-8,23-24H,1-4H3
0 references
InChIKey
LESVQQSUHUNTRC-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
54704239
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
54704239
language of work or name
English
PubChem CID
54704239
2 references
stated in
PubChem
PubChem CID
54704239
language of work or name
English
matched by identifier from
InChIKey
InChIKey
LESVQQSUHUNTRC-UHFFFAOYSA-N
ChEBI ID
219324
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H18O8/c1-9-5-11(23)7-13-15(9)19(24)17(21(25)29-13)18-20(28-4)16-10(2)6-12(27-3)8-14(16)30-22(18)26/h5-8,23-24H,1-4H3
UniChem compound ID
114925
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015841
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LESVQQSUHUNTRC-UHFFFAOYSA-N
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