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(Q105257168)
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English
2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
group of stereoisomers with the chemical formula C₃₉H₆₂O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
spirostans
1 reference
inferred from
spirostans
mass
738.4190420440003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₉H₆₂O₁₃
0 references
canonical SMILES
OCC1OC(OC2C(O)C(O)C(OC2OC3CC4=CCC5C(CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C4(C)CC3)CO)C(O)C(O)C1O
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Identifiers
InChI
InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3
0 references
InChIKey
SOSXYUIKBSZONB-UHFFFAOYSA-N
0 references
PubChem CID
73092197
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SOSXYUIKBSZONB-UHFFFAOYSA-N
UniChem compound ID
32005506
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0040949
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SOSXYUIKBSZONB-UHFFFAOYSA-N
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