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(Q77512995)
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Solanopyrone B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
6-[(1R,2S,4aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(hydroxymethyl)-4-methoxypyran-2-one
1 reference
based on heuristic
inferred from SMILES
CID 13386147
1 reference
based on heuristic
inferred from SMILES
mass
304.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
6-[(1R,2S,4aS,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(hydroxymethyl)-4-methoxypyran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
6-[(1R,2R,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(hydroxymethyl)-4-methoxypyran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
solanapyrone E
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
solanapyrone B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₄O₄
0 references
canonical SMILES
O=C1OC(=CC(OC)=C1CO)C2C(C=CC3CCCCC32)C
0 references
isomeric SMILES
C[C@@H]1C=C[C@@H]2CCCC[C@@H]2[C@H]1C3=CC(=C(C(=O)O3)CO)OC
0 references
found in taxon
Alternaria solani
3 references
stated in
Solanapyrones, Phytotoxins Produced by Alternaria solani: Biosynthesis and Isolation of Minor Components.
stated in
Solanapyrones A, B and C, phytotoxic metabolites from the fungus Alternaria solani
stated in
Solanapyrones A, B and C, phytotoxic metabolites from the fungus Alternaria solani
Identifiers
InChI
InChI=1S/C18H24O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-9,11-13,17,19H,3-6,10H2,1-2H3/t11-,12+,13+,17+/m1/s1
0 references
InChIKey
YJHFAFJKTXEFDR-XREXNNHRSA-N
2 references
stated in
PubChem
PubChem CID
10957683
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10957683
language of work or name
English
PubChem CID
10957683
2 references
stated in
PubChem
PubChem CID
10957683
language of work or name
English
matched by identifier from
InChIKey
InChIKey
YJHFAFJKTXEFDR-XREXNNHRSA-N
ChEBI ID
227099
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H24O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-9,11-13,17,19H,3-6,10H2,1-2H3/t11-,12+,13+,17+/m1/s1
UniChem compound ID
32147905
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA013070
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YJHFAFJKTXEFDR-XREXNNHRSA-N
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