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(Q104392641)
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English
Cyclocalamin
group of stereoisomers with the chemical formula C₂₇H₃₄O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
limonoid
1 reference
inferred from
limonoid
mass
502.220282668
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₄O₉
0 references
canonical SMILES
O=C(OC)CC1OC(C)(C)C2C(=O)C(O)C3(C)C(CCC4(C)C(OC(=O)C5OC543)C6=COC=C6)C12C
0 references
found in taxon
Skimmia japonica
1 reference
stated in
Limonoids in Miyamashikimi (Skimmia japonica Thunb.).
mandarin orange
2 references
stated in
Limonoids in citrus seeds: origin and relative concentration
stated in
Metabolism of limonoids in calamondin: Conversion of calamin to cyclocalamin
Citrus × deliciosa
2 references
stated in
Limonoids in citrus seeds: origin and relative concentration
stated in
Metabolism of limonoids in calamondin: Conversion of calamin to cyclocalamin
Identifiers
InChI
InChI=1S/C27H34O9/c1-23(2)18-17(29)19(30)26(5)14(25(18,4)15(35-23)11-16(28)32-6)7-9-24(3)20(13-8-10-33-12-13)34-22(31)21-27(24,26)36-21/h8,10,12,14-15,18-21,30H,7,9,11H2,1-6H3
0 references
InChIKey
QZEZEIDFGQZYKE-UHFFFAOYSA-N
0 references
PubChem CID
13857944
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
QZEZEIDFGQZYKE-UHFFFAOYSA-N
ChEBI ID
190823
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C27H34O9/c1-23(2)18-17(29)19(30)26(5)14(25(18,4)15(35-23)11-16(28)32-6)7-9-24(3)20(13-8-10-33-12-13)34-22(31)21-27(24,26)36-21/h8,10,12,14-15,18-21,30H,7,9,11H2,1-6H3
UniChem compound ID
31993999
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035863
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QZEZEIDFGQZYKE-UHFFFAOYSA-N
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