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(Q77424146)
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Stagonolide B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3,4,7-Trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
1 reference
based on heuristic
inferred from SMILES
mass
244.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S,3R,4R,5E,7S)-3,4,7-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₂₀O₅
0 references
canonical SMILES
O=C1OC(CCC)C(O)C(O)C=CC(O)CC1
0 references
isomeric SMILES
CCC[C@@H]1[C@H]([C@H](/C=C/[C@@H](CCC(=O)O1)O)O)O
0 references
found in taxon
Stagonospora cirsii
2 references
stated in
Stagonolides B-F, nonenolides produced by Stagonospora cirsii, a potential mycoherbicide of Cirsium arvense
stated in
Stagonolides G-I and modiolide A, nonenolides produced by Stagonospora cirsii, a potential mycoherbicide for Cirsium arvense
Identifiers
InChI
InChI=1S/C12H20O5/c1-2-3-10-12(16)9(14)6-4-8(13)5-7-11(15)17-10/h4,6,8-10,12-14,16H,2-3,5,7H2,1H3/b6-4+/t8-,9-,10+,12-/m0/s1
0 references
InChIKey
BFIDNRPVSXOGQW-AZIMCRLHSA-N
2 references
stated in
PubChem
PubChem CID
24770095
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
24770095
language of work or name
English
PubChem CID
24770095
2 references
stated in
PubChem
PubChem CID
24770095
language of work or name
English
matched by identifier from
InChIKey
InChIKey
BFIDNRPVSXOGQW-AZIMCRLHSA-N
ChEBI ID
205385
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H20O5/c1-2-3-10-12(16)9(14)6-4-8(13)5-7-11(15)17-10/h4,6,8-10,12-14,16H,2-3,5,7H2,1H3/b6-4+/t8-,9-,10+,12-/m0/s1
UniChem compound ID
514112
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA008633
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BFIDNRPVSXOGQW-AZIMCRLHSA-N
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