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(Q104945854)
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English
(4S,4aS,7aS)-4,7-bis(hydroxymethyl)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-3-one
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
212.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₆O₄
0 references
canonical SMILES
O=C1OCC2C(=CCC2C1(C)CO)CO
0 references
isomeric SMILES
C[C@]1(CO)C(=O)OC[C@@H]2C(CO)=CC[C@@H]21
0 references
found in taxon
Cymbaria mongolica
1 reference
stated in
Non-glycosidic iridoids from Cymbaria mongolica
Gardenia jasminoides
1 reference
stated in
Two monoterpenes from fruits of Gardenia jasminoides
Genipa americana
1 reference
stated in
Three new monoterpenoids from the fruit of Genipa americana
Identifiers
InChI
InChI=1S/C11H16O4/c1-11(6-13)9-3-2-7(4-12)8(9)5-15-10(11)14/h2,8-9,12-13H,3-6H2,1H3/t8-,9+,11-/m1/s1
0 references
InChIKey
BTTOWNPBHGPOLE-WCABBAIRSA-N
0 references
PubChem CID
5317525
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BTTOWNPBHGPOLE-WCABBAIRSA-N
ChEBI ID
229125
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H16O4/c1-11(6-13)9-3-2-7(4-12)8(9)5-15-10(11)14/h2,8-9,12-13H,3-6H2,1H3/t8-,9+,11-/m1/s1
UniChem compound ID
55935828
1 reference
stated in
UniChem
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