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(Q105254820)
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English
25(S)-Ruscogenin 1-O-I<<-L-rhamnopyranosyl-(1 L2)-EC-D-xylopyranoside
group of stereoisomers with the chemical formula C₃₈H₆₀O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
spirostans
1 reference
inferred from
spirostans
mass
708.40847736
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₈H₆₀O₁₂
0 references
canonical SMILES
OC1CC2=CCC3C(CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C2(C)C(OC7OCC(O)C(O)C7OC8OC(C)C(O)C(O)C8O)C1
0 references
found in taxon
Allium cepa
1 reference
stated in
Steroids of the spirostan and furostan series from plants of the genus Allium. XXI. Structure of alliospiroside a and alliofuroside a from Allium cepa
Identifiers
InChI
InChI=1S/C38H60O12/c1-17-8-11-38(46-15-17)18(2)28-26(50-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)48-35-33(30(42)25(40)16-45-35)49-34-32(44)31(43)29(41)19(3)47-34/h6,17-19,21-35,39-44H,7-16H2,1-5H3
0 references
InChIKey
SKHJNNFXCKTDBG-UHFFFAOYSA-N
0 references
PubChem CID
3509806
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
66276566
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR308969
1 reference
InChIKey
SKHJNNFXCKTDBG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR310699
1 reference
InChIKey
SKHJNNFXCKTDBG-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
HMDB0303122
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SKHJNNFXCKTDBG-UHFFFAOYSA-N
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