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(Q77560559)
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English
Deconin A
bioactive natural product
In more languages
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
3-Hydroxy-3-methyl-5-[4-(1,2,2-trimethylcyclopentyl)benzoyl]oxypentanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
362.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₅
0 references
canonical SMILES
O=C(OCCC(O)(C)CC(=O)O)C1=CC=C(C=C1)C2(C)CCCC2(C)C
0 references
isomeric SMILES
C[C@@]1(CCCC1(C)C)C2=CC=C(C=C2)C(=O)OCC[C@](C)(CC(=O)O)O
0 references
found in taxon
Deconica
1 reference
stated in
Deconins A-E: Cuparenic and Mevalonic or Propionic Acid Conjugates from the Basidiomycete Deconica sp. 471.
Identifiers
InChI
InChI=1S/C21H30O5/c1-19(2)10-5-11-21(19,4)16-8-6-15(7-9-16)18(24)26-13-12-20(3,25)14-17(22)23/h6-9,25H,5,10-14H2,1-4H3,(H,22,23)/t20-,21-/m1/s1
0 references
InChIKey
PMMJBYVOCQEGKR-NHCUHLMSSA-N
2 references
stated in
PubChem
PubChem CID
122178986
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
122178986
language of work or name
English
PubChem CID
122178986
2 references
stated in
PubChem
PubChem CID
122178986
language of work or name
English
matched by identifier from
InChIKey
InChIKey
PMMJBYVOCQEGKR-NHCUHLMSSA-N
ChEBI ID
213695
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H30O5/c1-19(2)10-5-11-21(19,4)16-8-6-15(7-9-16)18(24)26-13-12-20(3,25)14-17(22)23/h6-9,25H,5,10-14H2,1-4H3,(H,22,23)/t20-,21-/m1/s1
UniChem compound ID
147970029
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA014785
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PMMJBYVOCQEGKR-NHCUHLMSSA-N
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