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(Q104395891)
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chemical compound
methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
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instance of
type of chemical entity
0 references
subclass of
1,6-Dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
1 reference
based on heuristic
inferred from SMILES
mass
228.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1R,4aS,6S,7R,7aR)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
1 reference
based on heuristic
inferred from InChI
methyl (1S,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₆O₅
0 references
canonical SMILES
O=C(OC)C1=COC(O)C2C1CC(O)C2C
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isomeric SMILES
COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1C[C@H](O)[C@@H]2C
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found in taxon
Gentiana verna
1 reference
stated in
Iridoids from Gentiana verna
Strychnos lucida
1 reference
stated in
Ligustrinoside, a New Bisiridoid Glucoside from Strychnos ligustrina.
Cordiera macrophylla
1 reference
stated in
Fungitoxic non-glycosidic iridoids from Alibertia macrophylla
Calycophyllum spruceanum
4 references
stated in
seco-iridoids from Calycophyllum spruceanum (Rubiaceae).
stated in
seco-iridoids from Calycophyllum spruceanum (Rubiaceae).
stated in
seco-iridoids from Calycophyllum spruceanum (Rubiaceae).
stated in
seco-Iridoids from Calycophyllum spruceanum (Rubiaceae).
Desfontainia fulgens
1 reference
stated in
Iridoids from Desfostainia Spinosa
Desfontainia spinosa
1 reference
stated in
Iridoids from Desfostainia Spinosa
Neonauclea sessilifolia
2 references
stated in
Two chromone-secoiridoid glycosides and three indole alkaloid glycosides from Neonauclea sessilifolia
stated in
Two chromone-secoiridoid glycosides and three indole alkaloid glycosides from Neonauclea sessilifolia
Dipsacus laciniatus
1 reference
stated in
Phenolic glucoside and other constituents of Dipsacus laciniatus
Scaevola floribunda
1 reference
stated in
Chemistry of Fijian Plants. 13.1Floribundal, a Nonglycosidic Bisiridoid, and Six Novel Fatty Esters of δ-Amyrin fromScaevola floribunda
Identifiers
InChI
InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1
0 references
InChIKey
XWOHZIIPBYAMJX-KHBMLBSESA-N
0 references
PubChem CID
10466307
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
195298
mapping relation type
exact match
0 references
UniChem compound ID
34334722
1 reference
stated in
UniChem
Probes And Drugs ID
PD100211
0 references
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