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(Q105216003)
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English
(1R,2S,3S,6S,8R,10S)-4-(hydroxymethyl)-7,9,11-trioxatetracyclo[6.4.0.02,6.03,10]dodec-4-en-12-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1R,2S,3S,8R,10S)-4-(hydroxymethyl)-7,9,11-trioxatetracyclo[6.4.0.02,6.03,10]dodec-4-en-12-one
1 reference
based on heuristic
inferred from SMILES
mass
210.05282342
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Macrophyllide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₀O₅
0 references
canonical SMILES
O=C1OC2OC3OC4C=C(CO)C2C4C13
0 references
isomeric SMILES
O=C1O[C@@H]2O[C@H]3O[C@@H]4C=C(CO)[C@@H]2[C@H]4[C@@H]13
0 references
found in taxon
Inula macrophylla
1 reference
stated in
Sesquiterpenes and monoterpenes from the bark of Inula macrophylla.
Rothmannia macrophylla
1 reference
stated in
Iridoids from Rothmannia macrophylla
Singaporandia macrophylla
1 reference
stated in
Iridoids from Rothmannia macrophylla
Inula grandis
1 reference
stated in
Sesquiterpenes and monoterpenes from the bark of Inula macrophylla.
Identifiers
InChI
InChI=1S/C10H10O5/c11-2-3-1-4-6-5(3)9-14-8(12)7(6)10(13-4)15-9/h1,4-7,9-11H,2H2/t4-,5-,6+,7+,9-,10-/m1/s1
0 references
InChIKey
PWUSKWJIQRBVCM-RMEWJZHJSA-N
0 references
PubChem CID
163105596
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PWUSKWJIQRBVCM-RMEWJZHJSA-N
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