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(Q105350948)
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English
[7-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,6-dimethyloct-2-enoate
group of stereoisomers with the chemical formula C₃₀H₄₈O₁₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
mass
648.2993208359999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₄₈O₁₅
0 references
canonical SMILES
O=C(OC1CC(O)(C)C2C(OC=CC12)OC3OC(CO)C(O)C(O)C3O)C(=CCCC(C)CCOC4OC(CO)C(O)C4O)C
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Identifiers
InChI
InChI=1S/C30H48O15/c1-14(7-9-41-28-24(36)22(34)19(13-32)43-28)5-4-6-15(2)26(38)42-17-11-30(3,39)20-16(17)8-10-40-27(20)45-29-25(37)23(35)21(33)18(12-31)44-29/h6,8,10,14,16-25,27-29,31-37,39H,4-5,7,9,11-13H2,1-3H3
0 references
InChIKey
YNIHZPBSIYUTGJ-UHFFFAOYSA-N
0 references
PubChem CID
162902641
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YNIHZPBSIYUTGJ-UHFFFAOYSA-N
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