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(Q105190903)
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English
Tomatoside A
group of stereoisomers with the chemical formula C₅₁H₈₆O₂₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
furostan steroid
1 reference
inferred from
furostan steroid
mass
1,082.550903632
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₁H₈₆O₂₄
0 references
canonical SMILES
OCC1OC(OCC(C)CCC2(O)OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O
0 references
found in taxon
Tribulus terrestris
1 reference
stated in
Food supplements ofTribulus terrestris L.: An HPLC-ESI-MS method for an estimation of the saponin content
Identifiers
InChI
InChI=1S/C51H86O24/c1-20(19-67-45-40(63)36(59)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-46-42(65)39(62)43(31(18-55)72-46)73-48-44(38(61)35(58)30(17-54)71-48)74-47-41(64)37(60)34(57)29(16-53)70-47/h20-48,52-66H,5-19H2,1-4H3
0 references
InChIKey
OFEAYOYKIQKFSK-UHFFFAOYSA-N
0 references
PubChem CID
426059
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
OFEAYOYKIQKFSK-UHFFFAOYSA-N
UniChem compound ID
32014403
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR308993
1 reference
InChIKey
OFEAYOYKIQKFSK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR308994
1 reference
InChIKey
OFEAYOYKIQKFSK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR310726
1 reference
InChIKey
OFEAYOYKIQKFSK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0034083
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OFEAYOYKIQKFSK-UHFFFAOYSA-N
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