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(Q77385440)
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English
Isokotanin C
bioactive natural product
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No label defined
No description defined
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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=C(C(=CC2=C1C(=CC(=O)O2)OC)O)C3=C(C4=C(C=C3O)OC(=O)C=C4OC)C
0 references
found in taxon
Aspergillus alliaceus
1 reference
stated in
Isokotanins A-C: new bicoumarins from the sclerotia of Aspergillus alliaceus.
Identifiers
InChI
InChI=1S/C22H18O8/c1-9-19(11(23)5-15-21(9)13(27-3)7-17(25)29-15)20-10(2)22-14(28-4)8-18(26)30-16(22)6-12(20)24/h5-8,23-24H,1-4H3
0 references
InChIKey
KUAZKXCKFDVOGA-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
10476651
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10476651
language of work or name
English
PubChem CID
10476651
2 references
stated in
PubChem
PubChem CID
10476651
language of work or name
English
matched by identifier from
InChIKey
InChIKey
KUAZKXCKFDVOGA-UHFFFAOYSA-N
ChEBI ID
204384
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H18O8/c1-9-19(11(23)5-15-21(9)13(27-3)7-17(25)29-15)20-10(2)22-14(28-4)8-18(26)30-16(22)6-12(20)24/h5-8,23-24H,1-4H3
UniChem compound ID
33713956
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA007468
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KUAZKXCKFDVOGA-UHFFFAOYSA-N
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