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English
Brasilanone A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(2-hydroxypropan-2-yl)-1,6,6-trimethyl-7,7a-dihydro-1H-inden-2-one
1 reference
based on heuristic
inferred from SMILES
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=C1C=C2C(=CC(C)(C)CC2C1C)C(O)(C)C
0 references
isomeric SMILES
C[C@@H]1C(=O)C=C2C(C(C)(C)O)=CC(C)(C)C[C@H]21
0 references
found in taxon
Aspergillus terreus
1 reference
stated in
Brasilane sesquiterpenoids and dihydrobenzofuran derivatives from Aspergillus terreus [CFCC 81836]
Identifiers
InChI
InChI=1S/C15H22O2/c1-9-11-7-14(2,3)8-12(15(4,5)17)10(11)6-13(9)16/h6,8-9,11,17H,7H2,1-5H3/t9-,11-/m0/s1
0 references
InChIKey
INMINHZDFXCZEL-ONGXEEELSA-N
0 references
PubChem CID
139591031
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
INMINHZDFXCZEL-ONGXEEELSA-N
ChEBI ID
216117
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H22O2/c1-9-11-7-14(2,3)8-12(15(4,5)17)10(11)6-13(9)16/h6,8-9,11,17H,7H2,1-5H3/t9-,11-/m0/s1
UniChem compound ID
170913964
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA023779
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
INMINHZDFXCZEL-ONGXEEELSA-N
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