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(Q75059079)
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English
6-epi-Albrassitriol
bioactive natural product
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(Hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
1 reference
based on heuristic
inferred from SMILES
(4R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
1 reference
based on heuristic
inferred from SMILES
mass
254.188194692
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Albrassitriol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₆O₃
0 references
canonical SMILES
OCC1(O)C(=CC(O)C2C(C)(C)CCCC21C)C
0 references
isomeric SMILES
CC1=C[C@H]([C@@H]2[C@@]([C@]1(CO)O)(CCCC2(C)C)C)O
0 references
found in taxon
Alternaria brassicae
1 reference
stated in
Metabolites Produced by Alternaria brassicae, the Black Spot Pathogen of Canola. Part 2, Sesquiterpenoid Metabolites
Aspergillus
1 reference
stated in
New albrassitriols from Aspergillus sp. (FH-A 6357)
Identifiers
InChI
InChI=1S/C15H26O3/c1-10-8-11(17)12-13(2,3)6-5-7-14(12,4)15(10,18)9-16/h8,11-12,16-18H,5-7,9H2,1-4H3/t11-,12+,14+,15-/m1/s1
0 references
InChIKey
RWPFZPBMMIWKKY-PAPYEOQZSA-N
2 references
stated in
PubChem
PubChem CID
10015192
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10015192
language of work or name
English
PubChem CID
10015192
2 references
stated in
PubChem
PubChem CID
10015192
language of work or name
English
matched by identifier from
InChIKey
InChIKey
RWPFZPBMMIWKKY-PAPYEOQZSA-N
ChEBI ID
198271
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H26O3/c1-10-8-11(17)12-13(2,3)6-5-7-14(12,4)15(10,18)9-16/h8,11-12,16-18H,5-7,9H2,1-4H3/t11-,12+,14+,15-/m1/s1
UniChem compound ID
33812169
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA000844
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RWPFZPBMMIWKKY-PAPYEOQZSA-N
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