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(Q77502876)
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English
Diplosporin
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
(5S,6X)-6-Ethyl-5-hydroxy-3-hydroxymethyl-5,6,7,8-tetrahydrobenzo[b]pyran-4-one
1 reference
based on heuristic
inferred from SMILES
mass
224.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(5R,6R)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydrochromen-4-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₆O₄
0 references
canonical SMILES
O=C1C(=COC2=C1C(O)C(CC)CC2)CO
0 references
isomeric SMILES
CC[C@@H]1CCC2=C([C@H]1O)C(=O)C(=CO2)CO
0 references
found in taxon
Stenocarpella macrospora
2 references
stated in
Diplodiol: a new toxin from Diplodia macrospora
stated in
Biosynthesis of diplosporin by Diplodia macrospora. Part 2. Investigation of ring formation using stable isotopes
Identifiers
InChI
InChI=1S/C12H16O4/c1-2-7-3-4-9-10(11(7)14)12(15)8(5-13)6-16-9/h6-7,11,13-14H,2-5H2,1H3/t7-,11+/m1/s1
0 references
InChIKey
BFQQKLXDPGTJKC-HQJQHLMTSA-N
2 references
stated in
PubChem
PubChem CID
129639
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
129639
language of work or name
English
CAS Registry Number
7143-89-7
0 references
PubChem CID
129639
2 references
stated in
PubChem
PubChem CID
129639
language of work or name
English
matched by identifier from
InChIKey
InChIKey
BFQQKLXDPGTJKC-HQJQHLMTSA-N
ChEBI ID
172462
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H16O4/c1-2-7-3-4-9-10(11(7)14)12(15)8(5-13)6-16-9/h6-7,11,13-14H,2-5H2,1H3/t7-,11+/m1/s1
UniChem compound ID
295794
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90276313
1 reference
matched by identifier from
InChIKey
InChIKey
BFQQKLXDPGTJKC-HQJQHLMTSA-N
DSSTOX compound identifier
DTXCID50227629
0 references
NSC number
36884
0 references
Natural Product Atlas ID
NPA011463
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BFQQKLXDPGTJKC-HQJQHLMTSA-N
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