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(Q77502988)
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English
7-butyl-6,8-dihydroxy-3(R)-pentylisochroman-1-one
bioactive natural product
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
7-Butyl-6,8-dihydroxy-3-pentyl-3,4-dihydroisochromen-1-one
1 reference
based on heuristic
inferred from SMILES
mass
306.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₆O₄
0 references
canonical SMILES
O=C1OC(CC2=CC(O)=C(C(O)=C12)CCCC)CCCCC
0 references
isomeric SMILES
CCCCC[C@@H]1CC2=CC(=C(C(=C2C(=O)O1)O)CCCC)O
0 references
found in taxon
Geotrichum
1 reference
stated in
Antimalarial dihydroisocoumarins produced by Geotrichum sp., an endophytic fungus of Crassocephalum crepidioides
Identifiers
InChI
InChI=1S/C18H26O4/c1-3-5-7-8-13-10-12-11-15(19)14(9-6-4-2)17(20)16(12)18(21)22-13/h11,13,19-20H,3-10H2,1-2H3/t13-/m1/s1
0 references
InChIKey
UKZZACSDAMLDLW-CYBMUJFWSA-N
2 references
stated in
PubChem
PubChem CID
11012219
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
11012219
language of work or name
English
PubChem CID
11012219
2 references
stated in
PubChem
PubChem CID
11012219
language of work or name
English
matched by identifier from
InChIKey
InChIKey
UKZZACSDAMLDLW-CYBMUJFWSA-N
ChEBI ID
219440
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H26O4/c1-3-5-7-8-13-10-12-11-15(19)14(9-6-4-2)17(20)16(12)18(21)22-13/h11,13,19-20H,3-10H2,1-2H3/t13-/m1/s1
UniChem compound ID
39549
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011482
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UKZZACSDAMLDLW-CYBMUJFWSA-N
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