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(Q104962399)
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English
(2S)-2alpha-(1-Hydroxy-1-methylethyl)-3alpha,9-dihydroxy-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
furanocoumarin
0 references
mass
278.079038168
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₄O₆
0 references
canonical SMILES
O=C1OC=2C(O)=C3OC(C(O)C3=CC2C=C1)C(O)(C)C
0 references
isomeric SMILES
CC(C)(O)[C@H]1Oc2c(cc3ccc(=O)oc3c2O)[C@H]1O
0 references
found in taxon
Aegle marmelos
1 reference
stated in
Alkaloid and coumarins from the green fruits of Aegle marmelos.
Identifiers
InChI
InChI=1S/C14H14O6/c1-14(2,18)13-9(16)7-5-6-3-4-8(15)19-11(6)10(17)12(7)20-13/h3-5,9,13,16-18H,1-2H3/t9-,13+/m1/s1
0 references
InChIKey
CKIXYKXOOJINJX-RNCFNFMXSA-N
0 references
PubChem CID
56958777
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CKIXYKXOOJINJX-RNCFNFMXSA-N
UniChem compound ID
32986124
1 reference
stated in
UniChem
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