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(Q77517432)
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English
6-O-acetyl hygrophorone A12
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
1-(1,2-Dihydroxy-5-oxocyclopent-3-en-1-yl)tridecyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
354.240624188
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1S)-1-[(1S,2S)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]tridecyl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₄O₅
0 references
canonical SMILES
O=C(OC(CCCCCCCCCCCC)C1(O)C(=O)C=CC1O)C
0 references
isomeric SMILES
CCCCCCCCCCCCC(OC(C)=O)[C@]1(O)C(=O)C=C[C@@H]1O
0 references
found in taxon
Hygrophorus persoonii
1 reference
stated in
Hygrophorones A-G: fungicidal cyclopentenones from Hygrophorus species (Basidiomycetes).
Identifiers
InChI
InChI=1S/C20H34O5/c1-3-4-5-6-7-8-9-10-11-12-13-19(25-16(2)21)20(24)17(22)14-15-18(20)23/h14-15,17,19,22,24H,3-13H2,1-2H3/t17-,19?,20+/m0/s1
0 references
InChIKey
FAHBANVBZSJAMI-JVPALSCHSA-N
2 references
stated in
PubChem
PubChem CID
139586917
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586917
language of work or name
English
PubChem CID
139586917
2 references
stated in
PubChem
PubChem CID
139586917
language of work or name
English
matched by identifier from
InChIKey
InChIKey
FAHBANVBZSJAMI-JVPALSCHSA-N
ChEBI ID
208383
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H34O5/c1-3-4-5-6-7-8-9-10-11-12-13-19(25-16(2)21)20(24)17(22)14-15-18(20)23/h14-15,17,19,22,24H,3-13H2,1-2H3/t17-,19?,20+/m0/s1
UniChem compound ID
170910111
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA013776
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FAHBANVBZSJAMI-JVPALSCHSA-N
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