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(Q75068687)
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English
1-epibotrydial
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
(1,7-Diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
310.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
botrydial
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1S,3aR,4R,6S,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate
1 reference
based on heuristic
inferred from InChI
1,8,9-epi-Botrydial
1 reference
based on heuristic
inferred from InChI
botrydial
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₆O₅
0 references
canonical SMILES
O=CC1C(C)CC(OC(=O)C)C2C(C)(C)CC(C=O)(C)C12O
0 references
isomeric SMILES
C[C@@H]1C[C@@H]([C@@H]2[C@]([C@@H]1C=O)([C@@](CC2(C)C)(C)C=O)O)OC(=O)C
0 references
found in taxon
Botrytis cinerea
4 references
stated in
Structure-activity relationships of new phytotoxic metabolites with the botryane skeleton from Botrytis cinerea
stated in
Structure-activity relationships of new phytotoxic metabolites with the botryane skeleton from Botrytis cinerea
stated in
Structure-activity relationships of new phytotoxic metabolites with the botryane skeleton from Botrytis cinerea
stated in
Biotransformation of caryophyllene oxide by botrytis cinerea
Identifiers
InChI
InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12-,13+,14+,16-,17-/m1/s1
0 references
InChIKey
SJFIYVCSGNWVPJ-SDLFRHKASA-N
2 references
stated in
PubChem
PubChem CID
10335565
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10335565
language of work or name
English
PubChem CID
10335565
2 references
stated in
PubChem
PubChem CID
10335565
language of work or name
English
matched by identifier from
InChIKey
InChIKey
SJFIYVCSGNWVPJ-SDLFRHKASA-N
ChEBI ID
199970
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12-,13+,14+,16-,17-/m1/s1
UniChem compound ID
84620
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA002813
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SJFIYVCSGNWVPJ-SDLFRHKASA-N
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