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(Q77494194)
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English
Aspernolide E
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 2-[(2,2-dimethylchromen-6-yl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
422.136553044
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₂O₇
0 references
canonical SMILES
O=C1OC(C(=O)OC)(C(=C1O)C=2C=CC(O)=CC2)CC=3C=CC=4OC(C=CC4C3)(C)C
0 references
isomeric SMILES
CC1(C=CC2=C(O1)C=CC(=C2)C[C@@]3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)C
0 references
found in taxon
Aspergillus terreus
1 reference
stated in
Asperterrestide A, a cytotoxic cyclic tetrapeptide from the marine-derived fungus Aspergillus terreus SCSGAF0162.
Identifiers
InChI
InChI=1S/C24H22O7/c1-23(2)11-10-16-12-14(4-9-18(16)30-23)13-24(22(28)29-3)19(20(26)21(27)31-24)15-5-7-17(25)8-6-15/h4-12,25-26H,13H2,1-3H3/t24-/m1/s1
0 references
InChIKey
XYGSNCPRLVTNHL-XMMPIXPASA-N
2 references
stated in
PubChem
PubChem CID
71726179
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
71726179
language of work or name
English
PubChem CID
71726179
2 references
stated in
PubChem
PubChem CID
71726179
language of work or name
English
matched by identifier from
InChIKey
InChIKey
XYGSNCPRLVTNHL-XMMPIXPASA-N
ChEBI ID
212238
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H22O7/c1-23(2)11-10-16-12-14(4-9-18(16)30-23)13-24(22(28)29-3)19(20(26)21(27)31-24)15-5-7-17(25)8-6-15/h4-12,25-26H,13H2,1-3H3/t24-/m1/s1
UniChem compound ID
64454330
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA010118
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XYGSNCPRLVTNHL-XMMPIXPASA-N
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