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(Q75066847)
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English
Leptosphaerone B
bioactive natural product
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default values for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
5,6-dihydroxy-3,6-dimethylcyclohex-2-en-1-one
1 reference
based on heuristic
inferred from SMILES
mass
156.078644244
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Leptosphaerone C
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(-)-leptosphaerone A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₁₂O₃
0 references
canonical SMILES
O=C1C=C(C)CC(O)C1(O)C
0 references
isomeric SMILES
CC1=CC(=O)[C@@]([C@H](C1)O)(C)O
0 references
found in taxon
Phaeosphaeria herpotrichoides
2 references
stated in
Leptosphaerones A and B, New Cyclohexenones from Leptosphaeria herpotrichoides
stated in
Leptosphaerones A and B, New Cyclohexenones from Leptosphaeria herpotrichoides
Identifiers
InChI
InChI=1S/C8H12O3/c1-5-3-6(9)8(2,11)7(10)4-5/h3,7,10-11H,4H2,1-2H3/t7-,8+/m0/s1
0 references
InChIKey
JPANATRWCFTRDD-JGVFFNPUSA-N
2 references
stated in
PubChem
PubChem CID
139583732
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139583732
language of work or name
English
PubChem CID
139583732
2 references
stated in
PubChem
PubChem CID
139583732
language of work or name
English
matched by identifier from
InChIKey
InChIKey
JPANATRWCFTRDD-JGVFFNPUSA-N
ChEBI ID
199517
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H12O3/c1-5-3-6(9)8(2,11)7(10)4-5/h3,7,10-11H,4H2,1-2H3/t7-,8+/m0/s1
UniChem compound ID
170907293
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA002284
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JPANATRWCFTRDD-JGVFFNPUSA-N
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