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(Q77567537)
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calopin B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-[2,3-Dihydroxy-4-(hydroxymethyl)phenyl]-3-hydroxy-5-methyloxan-2-one
1 reference
based on heuristic
inferred from SMILES
chemical structure
Calopin B.svg
1,085 × 980; 29 KB
0 references
mass
268.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆O₆
0 references
canonical SMILES
O=C1OCC(C)C(C2=CC=C(C(O)=C2O)CO)C1O
0 references
isomeric SMILES
C[C@@H]1COC(=O)[C@H]([C@H]1C2=C(C(=C(C=C2)CO)O)O)O
0 references
found in taxon
Caloboletus calopus
2 references
stated in
Free radical-scavenging delta-lactones from Boletus calopus
stated in
Free radical-scavenging delta-lactones from Boletus calopus
Identifiers
InChI
InChI=1S/C13H16O6/c1-6-5-19-13(18)12(17)9(6)8-3-2-7(4-14)10(15)11(8)16/h2-3,6,9,12,14-17H,4-5H2,1H3/t6-,9-,12+/m1/s1
0 references
InChIKey
NJZFGSWJVGTAJR-JSTDYGSISA-N
2 references
stated in
PubChem
PubChem CID
16046210
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
16046210
language of work or name
English
PubChem CID
16046210
1 reference
stated in
PubChem
PubChem CID
16046210
language of work or name
English
ChEBI ID
219239
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H16O6/c1-6-5-19-13(18)12(17)9(6)8-3-2-7(4-14)10(15)11(8)16/h2-3,6,9,12,14-17H,4-5H2,1H3/t6-,9-,12+/m1/s1
UniChem compound ID
32184117
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015822
1 reference
based on heuristic
inferred from InChIKey
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