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(Q105224148)
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Penixylarin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-(3-{[2,4-dihydroxy-6-(12-hydroxyheptadecyl)phenyl]methyl}-2,4-dihydroxy-5-methylphenyl)ethanone
1 reference
based on heuristic
inferred from SMILES
mass
542.36073932
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₃H₅₀O₆
0 references
canonical SMILES
O=C(C=1C=C(C(O)=C(C1O)CC=2C(O)=CC(O)=CC2CCCCCCCCCCCC(O)CCCCC)C)C
0 references
isomeric SMILES
CCCCC[C@H](O)CCCCCCCCCCCc1cc(O)cc(O)c1Cc1c(O)c(C)cc(C(C)=O)c1O
0 references
found in taxon
Xylaria
1 reference
stated in
Secondary Metabolites Produced by Combined Culture of Penicillium crustosum and a Xylaria sp
Penicillium crustosum
1 reference
stated in
Secondary Metabolites Produced by Combined Culture of Penicillium crustosum and a Xylaria sp
Penicillium solitum
1 reference
stated in
Secondary Metabolites Produced by Combined Culture of Penicillium crustosum and a Xylaria sp
Identifiers
InChI
InChI=1S/C33H50O6/c1-4-5-13-17-26(35)18-15-12-10-8-6-7-9-11-14-16-25-20-27(36)21-31(37)29(25)22-30-32(38)23(2)19-28(24(3)34)33(30)39/h19-21,26,35-39H,4-18,22H2,1-3H3/t26-/m0/s1
0 references
InChIKey
QMTKCHXTRKKCGW-SANMLTNESA-N
0 references
PubChem CID
145721053
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QMTKCHXTRKKCGW-SANMLTNESA-N
ChEBI ID
224468
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C33H50O6/c1-4-5-13-17-26(35)18-15-12-10-8-6-7-9-11-14-16-25-20-27(36)21-31(37)29(25)22-30-32(38)23(2)19-28(24(3)34)33(30)39/h19-21,26,35-39H,4-18,22H2,1-3H3/t26-/m0/s1
UniChem compound ID
176967132
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA025285
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QMTKCHXTRKKCGW-SANMLTNESA-N
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