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(Q105161801)
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5-Hydroxycyclopenicillone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4,5-Dihydroxy-3-(1-hydroxyhex-4-enyl)-2,5-dimethylcyclopent-2-en-1-one
1 reference
based on heuristic
inferred from SMILES
mass
240.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₀O₄
0 references
canonical SMILES
O=C1C(=C(C(O)CCC=CC)C(O)C1(O)C)C
0 references
isomeric SMILES
C/C=C/CC[C@@H](O)C1=C(C)C(=O)[C@@](C)(O)[C@H]1O
0 references
found in taxon
Trichoderma
1 reference
stated in
5-Hydroxycyclopenicillone, a New β-Amyloid Fibrillization Inhibitor from a Sponge-Derived Fungus Trichoderma sp. HPQJ-34
Plectris
1 reference
stated in
5-Hydroxycyclopenicillone, a New β-Amyloid Fibrillization Inhibitor from a Sponge-Derived Fungus Trichoderma sp. HPQJ-34
Identifiers
InChI
InChI=1S/C13H20O4/c1-4-5-6-7-9(14)10-8(2)11(15)13(3,17)12(10)16/h4-5,9,12,14,16-17H,6-7H2,1-3H3/b5-4+/t9-,12+,13-/m1/s1
0 references
InChIKey
MDJUYTDLJQDSHN-KRBUYWOTSA-N
0 references
PubChem CID
139590516
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MDJUYTDLJQDSHN-KRBUYWOTSA-N
ChEBI ID
212861
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H20O4/c1-4-5-6-7-9(14)10-8(2)11(15)13(3,17)12(10)16/h4-5,9,12,14,16-17H,6-7H2,1-3H3/b5-4+/t9-,12+,13-/m1/s1
UniChem compound ID
170913453
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA023227
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MDJUYTDLJQDSHN-KRBUYWOTSA-N
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