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English
Isoboonein
chemical compound
(4aR,6S,7R,7aS)-Hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-3(1H)-one
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Statements
instance of
type of chemical entity
0 references
subclass of
6-hydroxy-7-methyl-hexahydro-1H-cyclopenta[c]pyran-3-one
1 reference
based on heuristic
inferred from SMILES
mass
170.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4aR,6S,7R,7aR)-6-hydroxy-7-methyl-hexahydro-1H-cyclopenta[c]pyran-3-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4abeta,6S,7aalpha)-6alpha-Hydroxy-7alpha-methylhexahydrocyclopenta[c]pyran-3(1H)-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₄O₃
0 references
canonical SMILES
O=C1OCC2C(C1)CC(O)C2C
0 references
isomeric SMILES
C[C@H]1[C@H](C[C@H]2[C@@H]1COC(=O)C2)O
0 references
found in taxon
Gentiana loureirii
1 reference
stated in
Iridoids from Gentiana loureirii.
Caiophora coronata
1 reference
stated in
A novel antibacterial iridoid and triterpene from Caiophora coronata
Cymbaria mongolica
1 reference
stated in
Non-glycosidic iridoids from Cymbaria mongolica
Rauvolfia grandiflora
1 reference
stated in
Iridoids of Rauwolfia grandiflora☆
Alstonia scholaris
1 reference
stated in
Iridoids from the Bark ofAlstonia scholaris
Identifiers
InChI
InChI=1S/C9H14O3/c1-5-7-4-12-9(11)3-6(7)2-8(5)10/h5-8,10H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1
0 references
InChIKey
DPDXVBIWZBJGSX-XUTVFYLZSA-N
0 references
CAS Registry Number
99946-04-0
0 references
PubChem CID
10899112
1 reference
matched by identifier from
InChIKey
InChIKey
DPDXVBIWZBJGSX-XUTVFYLZSA-N
UniChem compound ID
32926519
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40447591
1 reference
matched by identifier from
InChIKey
InChIKey
DPDXVBIWZBJGSX-XUTVFYLZSA-N
DSSTOX compound identifier
DTXCID80398412
0 references
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