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(Q77511290)
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Deconin E
bioactive natural product
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
2-Hydroxy-3-[4-(4-hydroxy-1,2,2-trimethylcyclopentyl)benzoyl]oxy-2-methylpropanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
350.172938552
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₆O₆
0 references
canonical SMILES
O=C(O)C(O)(C)COC(=O)C1=CC=C(C=C1)C2(C)CC(O)CC2(C)C
0 references
isomeric SMILES
CC(O)(COC(=O)c1ccc([C@@]2(C)C[C@H](O)CC2(C)C)cc1)C(=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/C19H26O6/c1-17(2)9-14(20)10-18(17,3)13-7-5-12(6-8-13)15(21)25-11-19(4,24)16(22)23/h5-8,14,20,24H,9-11H2,1-4H3,(H,22,23)/t14-,18-,19?/m1/s1
0 references
InChIKey
OEMQRFWSQMZDOR-QSFPRURJSA-N
2 references
stated in
PubChem
PubChem CID
122178990
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
122178990
language of work or name
English
PubChem CID
122178990
2 references
stated in
PubChem
PubChem CID
122178990
language of work or name
English
matched by identifier from
InChIKey
InChIKey
OEMQRFWSQMZDOR-QSFPRURJSA-N
ChEBI ID
226001
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H26O6/c1-17(2)9-14(20)10-18(17,3)13-7-5-12(6-8-13)15(21)25-11-19(4,24)16(22)23/h5-8,14,20,24H,9-11H2,1-4H3,(H,22,23)/t14-,18-,19?/m1/s1
UniChem compound ID
147970033
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA012807
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OEMQRFWSQMZDOR-QSFPRURJSA-N
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