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English
Buntansin C
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
294.110338296
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
angelitriol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₆
0 references
canonical SMILES
O=C1OC=2C=C(OC)C(=CC2C=C1)C(O)C(O)C(O)(C)C
0 references
isomeric SMILES
CC(C)([C@@H]([C@H](C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O)O
0 references
found in taxon
Citrus grandis
2 references
stated in
Stem bark coumarins of Citrus grandis
stated in
Stem bark coumarins of Citrus grandis
pomelo
2 references
stated in
Stem bark coumarins of Citrus grandis
stated in
Stem bark coumarins of Citrus grandis
Identifiers
InChI
InChI=1S/C15H18O6/c1-15(2,19)14(18)13(17)9-6-8-4-5-12(16)21-10(8)7-11(9)20-3/h4-7,13-14,17-19H,1-3H3/t13-,14+/m0/s1
0 references
InChIKey
PCSZTTAMZGNQNB-UONOGXRCSA-N
0 references
CAS Registry Number
156250-66-7
0 references
PubChem CID
26176668
1 reference
matched by identifier from
InChIKey
InChIKey
PCSZTTAMZGNQNB-UONOGXRCSA-N
UniChem compound ID
943104
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00904236
1 reference
matched by identifier from
InChIKey
InChIKey
PCSZTTAMZGNQNB-UONOGXRCSA-N
DSSTOX compound identifier
DTXCID601333385
0 references
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