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(Q77371877)
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English
3,7-dimethyl-1,8-dihydroxy-6-methoxyisochroman
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3,7-Dimethyl-6-methoxy-3,4-dihydro-1H-2-benzopyran-1,8-diol
1 reference
based on heuristic
inferred from SMILES
mass
224.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3,4-Dihydro-3alpha,7-dimethyl-6-methoxy-1H-2-benzopyran-1beta,8-diol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₆O₄
0 references
canonical SMILES
OC=1C(=C(OC)C=C2C1C(O)OC(C)C2)C
0 references
isomeric SMILES
C[C@H]1CC2=CC(=C(C(=C2[C@@H](O1)O)O)C)OC
0 references
found in taxon
Penicillium citrinum
2 references
stated in
Secondary metabolites characteristic of Penicillium citrinum, Penicillium steckii and related species
stated in
Secondary metabolites characteristic of Penicillium citrinum, Penicillium steckii and related species
Penicillium steckii
2 references
stated in
Secondary metabolites characteristic of Penicillium citrinum, Penicillium steckii and related species
stated in
Secondary metabolites characteristic of Penicillium citrinum, Penicillium steckii and related species
Identifiers
InChI
InChI=1S/C12H16O4/c1-6-4-8-5-9(15-3)7(2)11(13)10(8)12(14)16-6/h5-6,12-14H,4H2,1-3H3/t6-,12+/m0/s1
0 references
InChIKey
JAMOAVUTINVWFP-PWCHPLFNSA-N
2 references
stated in
PubChem
PubChem CID
139584585
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139584585
language of work or name
English
PubChem CID
139584585
2 references
stated in
PubChem
PubChem CID
139584585
language of work or name
English
matched by identifier from
InChIKey
InChIKey
JAMOAVUTINVWFP-PWCHPLFNSA-N
ChEBI ID
202527
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H16O4/c1-6-4-8-5-9(15-3)7(2)11(13)10(8)12(14)16-6/h5-6,12-14H,4H2,1-3H3/t6-,12+/m0/s1
UniChem compound ID
153166054
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA005337
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JAMOAVUTINVWFP-PWCHPLFNSA-N
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