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Aigialomycin E
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
8,9,16,18-Tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one
1 reference
based on heuristic
inferred from SMILES
aigialomycin D
1 reference
based on heuristic
inferred from SMILES
mass
334.141638424
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
aigialomycin D
1 reference
based on heuristic
inferred from InChI
(4R,6Z,8R,9S,12Z)-8,9,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₂O₆
0 references
canonical SMILES
O=C1OC(C)CC=CC(O)C(O)CCC=CC=2C=C(O)C=C(O)C12
0 references
isomeric SMILES
C[C@@H]1C/C=C/[C@H]([C@H](CC/C=C\C2=C(C(=CC(=C2)O)O)C(=O)O1)O)O
0 references
found in taxon
Aigialus parvus
2 references
stated in
Aigialomycins A-E, new resorcylic macrolides from the marine mangrove fungus Aigialus parvus
stated in
Aigialomycins A-E, new resorcylic macrolides from the marine mangrove fungus Aigialus parvus
Identifiers
InChI
InChI=1S/C18H22O6/c1-11-5-4-8-15(21)14(20)7-3-2-6-12-9-13(19)10-16(22)17(12)18(23)24-11/h2,4,6,8-11,14-15,19-22H,3,5,7H2,1H3/b6-2-,8-4+/t11-,14+,15-/m1/s1
0 references
InChIKey
NHAQNKDEUQPSIX-FGXYAFLCSA-N
2 references
stated in
PubChem
PubChem CID
11727360
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
11727360
language of work or name
English
PubChem CID
11727360
2 references
stated in
PubChem
PubChem CID
11727360
language of work or name
English
matched by identifier from
InChIKey
InChIKey
NHAQNKDEUQPSIX-FGXYAFLCSA-N
ChEBI ID
205203
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H22O6/c1-11-5-4-8-15(21)14(20)7-3-2-6-12-9-13(19)10-16(22)17(12)18(23)24-11/h2,4,6,8-11,14-15,19-22H,3,5,7H2,1H3/b6-2-,8-4+/t11-,14+,15-/m1/s1
UniChem compound ID
34668428
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA008431
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NHAQNKDEUQPSIX-FGXYAFLCSA-N
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