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(Q77509818)
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English
10-Oxo-dihydrobotrydial
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
(12-Hydroxy-2,2,4,9-tetramethyl-7-oxo-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
310.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₆O₅
0 references
canonical SMILES
O=C(OC1CC(C)C2C(=O)OCC3(C)CC(C)(C)C1C23O)C
0 references
isomeric SMILES
C[C@@H]1C[C@@H]([C@@H]2[C@@]3([C@H]1C(=O)OC[C@]3(CC2(C)C)C)O)OC(=O)C
0 references
found in taxon
Botrytis cinerea
3 references
stated in
Metabolites from a shake culture of Botrytis cinerea
stated in
Metabolites from a shake culture of Botrytis cinerea
stated in
Structure-activity relationships of new phytotoxic metabolites with the botryane skeleton from Botrytis cinerea
Identifiers
InChI
InChI=1S/C17H26O5/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/h9,11-13,20H,6-8H2,1-5H3/t9-,11+,12-,13+,16-,17-/m1/s1
0 references
InChIKey
MFOUCDNLAFNKML-SVLWDWOGSA-N
2 references
stated in
PubChem
PubChem CID
15433250
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
15433250
language of work or name
English
PubChem CID
15433250
2 references
stated in
PubChem
PubChem CID
15433250
language of work or name
English
matched by identifier from
InChIKey
InChIKey
MFOUCDNLAFNKML-SVLWDWOGSA-N
ChEBI ID
225024
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H26O5/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/h9,11-13,20H,6-8H2,1-5H3/t9-,11+,12-,13+,16-,17-/m1/s1
UniChem compound ID
186536
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA012579
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MFOUCDNLAFNKML-SVLWDWOGSA-N
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