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English
2-[(3S)-7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione
1 reference
based on heuristic
inferred from SMILES
mass
316.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Mucroquinone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₆O₆
0 references
canonical SMILES
O=C1C=C(C(=O)C=C1OC)C2COC3=C(OC)C(O)=CC=C3C2
0 references
isomeric SMILES
COC1=CC(=O)C([C@H]2COc3c(ccc(O)c3OC)C2)=CC1=O
0 references
found in taxon
Machaerium mucronulatum
2 references
stated in
Vestitol and vesticarpan, isoflavonoids from Machaerium vestitum
stated in
Mucronulatol, mucroquinone and mucronucarpan, isoflavonoids from Machaerium mucronulatum and M. villosum
Identifiers
InChI
InChI=1S/C17H16O6/c1-21-15-7-13(19)11(6-14(15)20)10-5-9-3-4-12(18)17(22-2)16(9)23-8-10/h3-4,6-7,10,18H,5,8H2,1-2H3/t10-/m1/s1
0 references
InChIKey
BCRMQBPKTAFKBY-SNVBAGLBSA-N
0 references
PubChem CID
101289831
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BCRMQBPKTAFKBY-SNVBAGLBSA-N
UniChem compound ID
96897172
1 reference
stated in
UniChem
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