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(Q104403379)
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Dihydrobotrydial
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
botrydial sesquiterpenoid
0 references
mass
312.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,4R,7S,8S,9R,11S,12R)-7,12-dihydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate
1 reference
based on heuristic
inferred from InChI
10-epi-dihydrobotrydial
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₈O₅
0 references
canonical SMILES
O=C(OC1CC(C)C2C(O)OCC3(C)CC(C)(C)C1C23O)C
0 references
isomeric SMILES
CC(=O)O[C@H]1C[C@@H](C)[C@@H]2[C@@H](O)OC[C@@]3(C)CC(C)(C)[C@H]1[C@]23O
0 references
found in taxon
Botrytis cinerea
6 references
stated in
Metabolites from a shake culture of Botrytis cinerea
stated in
Biologically active sesquiterpenoid metabolites from the fungus Botrytis cinerea
stated in
Structure-activity relationships of new phytotoxic metabolites with the botryane skeleton from Botrytis cinerea
stated in
Botrydial, ein Sesquiterpen-Antibiotikum aus der Nährlösung des PilzesBotrytis cinerea
stated in
Biologically active sesquiterpenoid metabolites from the fungus Botrytis cinerea
stated in
Structure-activity relationships of new phytotoxic metabolites with the botryane skeleton from Botrytis cinerea
Identifiers
InChI
InChI=1S/C17H28O5/c1-9-6-11(22-10(2)18)13-15(3,4)7-16(5)8-21-14(19)12(9)17(13,16)20/h9,11-14,19-20H,6-8H2,1-5H3/t9-,11+,12-,13+,14+,16-,17-/m1/s1
0 references
InChIKey
QUGYVDURDBEQRB-CJNHKLDISA-N
0 references
PubChem CID
14157997
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QUGYVDURDBEQRB-CJNHKLDISA-N
ChEBI ID
214118
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H28O5/c1-9-6-11(22-10(2)18)13-15(3,4)7-16(5)8-21-14(19)12(9)17(13,16)20/h9,11-14,19-20H,6-8H2,1-5H3/t9-,11+,12-,13+,14+,16-,17-/m1/s1
UniChem compound ID
600111
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA019254
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QUGYVDURDBEQRB-CJNHKLDISA-N
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