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(Q77280450)
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English
Penicimarin C
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(4-Hydroxypentyl)-7-hydroxy-8-methoxy-3,4-dihydro-1H-2-benzopyran-1-one
1 reference
based on heuristic
inferred from SMILES
mass
280.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R)-7-hydroxy-3-[(4R)-4-hydroxypentyl]-8-methoxy-3,4-dihydroisochromen-1-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₅
0 references
canonical SMILES
O=C1OC(CC2=CC=C(O)C(OC)=C12)CCCC(O)C
0 references
isomeric SMILES
C[C@@H](CCC[C@@H]1CC2=C(C(=C(C=C2)O)OC)C(=O)O1)O
0 references
found in taxon
Penicillium
1 reference
stated in
Isocoumarin derivatives and benzofurans from a sponge-derived Penicillium sp. fungus
Identifiers
InChI
InChI=1S/C15H20O5/c1-9(16)4-3-5-11-8-10-6-7-12(17)14(19-2)13(10)15(18)20-11/h6-7,9,11,16-17H,3-5,8H2,1-2H3/t9-,11+/m0/s1
0 references
InChIKey
BVVXKQVJVHFVBC-GXSJLCMTSA-N
2 references
stated in
PubChem
PubChem CID
71665536
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
71665536
language of work or name
English
PubChem CID
71665536
1 reference
stated in
PubChem
PubChem CID
71665536
language of work or name
English
ChEBI ID
200871
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20O5/c1-9(16)4-3-5-11-8-10-6-7-12(17)14(19-2)13(10)15(18)20-11/h6-7,9,11,16-17H,3-5,8H2,1-2H3/t9-,11+/m0/s1
UniChem compound ID
56518460
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA003863
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BVVXKQVJVHFVBC-GXSJLCMTSA-N
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