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(Q77510219)
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English
Papyracillic acid methyl Acetal
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
tetronic acid
0 references
mass
240.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆O₅
0 references
canonical SMILES
O=C1OC2(OC(OC)(C)C(C2=C)C)C(OC)=C1
0 references
isomeric SMILES
C[C@H]1C(=C)[C@]2(C(=CC(=O)O2)OC)O[C@@]1(C)OC
0 references
found in taxon
Microsphaeropsis
1 reference
stated in
Papyracillic acid, a new penicillic acid analogue from the ascomycete Lachnum papyraceum
Identifiers
InChI
InChI=1S/C12H16O5/c1-7-8(2)12(17-11(7,3)15-5)9(14-4)6-10(13)16-12/h6-7H,2H2,1,3-5H3/t7-,11+,12+/m0/s1
0 references
InChIKey
KXOFTNMGLNQQNY-UPZJHPNMSA-N
2 references
stated in
PubChem
PubChem CID
23730436
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
23730436
language of work or name
English
PubChem CID
23730436
2 references
stated in
PubChem
PubChem CID
23730436
language of work or name
English
matched by identifier from
InChIKey
InChIKey
KXOFTNMGLNQQNY-UPZJHPNMSA-N
ChEBI ID
225296
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H16O5/c1-7-8(2)12(17-11(7,3)15-5)9(14-4)6-10(13)16-12/h6-7H,2H2,1,3-5H3/t7-,11+,12+/m0/s1
UniChem compound ID
34565843
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA012642
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KXOFTNMGLNQQNY-UPZJHPNMSA-N
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