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(Q77573994)
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English
(3R,4R)-cis-4-hydroxy-5-methylmellein
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
4-Hydroxy-5-methylmellein
1 reference
based on heuristic
inferred from SMILES
mass
208.073558864
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(3R,4S)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₂O₄
0 references
canonical SMILES
O=C1OC(C)C(O)C2=C1C(O)=CC=C2C
0 references
isomeric SMILES
C[C@@H]1[C@@H](C2=C(C=CC(=C2C(=O)O1)O)C)O
0 references
found in taxon
Cytospora ceratosperma
2 references
stated in
Structures and Phytotoxicity of Metabolites fromValsa ceratosperma
stated in
Structures and phytotoxicity of metabolites from Valsa ceratosperma.
Adenocarpus foliolosus
1 reference
stated in
Novel Highly Substituted Biraryl Ethers, Phomosines D-G, Isolated from the Endophytic FungusPhomopsis sp. fromAdenocarpus foliolosus
Identifiers
InChI
InChI=1S/C11H12O4/c1-5-3-4-7(12)9-8(5)10(13)6(2)15-11(9)14/h3-4,6,10,12-13H,1-2H3/t6-,10+/m1/s1
0 references
InChIKey
GFURKEBFQCFPFH-LDWIPMOCSA-N
2 references
stated in
PubChem
PubChem CID
102079836
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
102079836
language of work or name
English
PubChem CID
102079836
2 references
stated in
PubChem
PubChem CID
102079836
language of work or name
English
matched by identifier from
InChIKey
InChIKey
GFURKEBFQCFPFH-LDWIPMOCSA-N
ChEBI ID
224491
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H12O4/c1-5-3-4-7(12)9-8(5)10(13)6(2)15-11(9)14/h3-4,6,10,12-13H,1-2H3/t6-,10+/m1/s1
UniChem compound ID
101007844
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA016844
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GFURKEBFQCFPFH-LDWIPMOCSA-N
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