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(Q105170321)
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English
herbarin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
304.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3S)-3-hydroxy-7,9-dimethoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₆O₆
0 references
canonical SMILES
O=C1C=2C=C(OC)C=C(OC)C2C(=O)C3=C1CC(O)(OC3)C
0 references
isomeric SMILES
COc1cc(OC)c2c(c1)C(=O)C1=C(CO[C@@](C)(O)C1)C2=O
0 references
found in taxon
Corynespora
2 references
stated in
Heptaketides from Corynespora sp. inhabiting the cavern beard lichen, Usnea cavernosa: first report of metabolites of an endolichenic fungus
stated in
Maximizing chemical diversity of fungal metabolites: biogenetically related Heptaketides of the endolichenic fungus Corynespora sp. (1).
Torula herbarum
2 references
stated in
Isolation and characterization of naphthaquinone pigments from Torula herbarum (Pers.). Herbarin and dehydroherbarin
stated in
Isolation and characterization of naphthaquinone pigments from Torula herbarum (Pers.). Herbarin and dehydroherbarin
Identifiers
InChI
InChI=1S/C16H16O6/c1-16(19)6-10-11(7-22-16)15(18)13-9(14(10)17)4-8(20-2)5-12(13)21-3/h4-5,19H,6-7H2,1-3H3/t16-/m1/s1
0 references
InChIKey
MQWLANHTCHDMAR-MRXNPFEDSA-N
0 references
PubChem CID
44445721
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
225263
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H16O6/c1-16(19)6-10-11(7-22-16)15(18)13-9(14(10)17)4-8(20-2)5-12(13)21-3/h4-5,19H,6-7H2,1-3H3/t16-/m1/s1
UniChem compound ID
632921
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA021452
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MQWLANHTCHDMAR-MRXNPFEDSA-N
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