(Q105115624)

English

(2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-7-[[(2S,3S,4S)-3,4-dihydroxyoxan-2-yl]oxymethyl]-5-hydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[[7-[(3,4-Dihydroxyoxan-2-yl)oxymethyl]-5-hydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

478.16864102 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₁₃

0 references

canonical SMILES

OCC1OC(OC2OC=C(COC3OCCC(O)C3O)C4C(O)C5OC5C24)C(O)C(O)C1O

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isomeric SMILES

OC[C@H]1O[C@@H](O[C@@H]2OC=C(CO[C@@H]3OCC[C@H](O)[C@@H]3O)[C@@H]3[C@H](O)[C@@H]4O[C@@H]4[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Mentzelia involucrata

1 reference

stated in

Iridoid mono- and di-glycosides in Mentzelia

Identifiers

InChI

InChI=1S/C20H30O13/c21-3-8-12(24)14(26)15(27)20(31-8)33-18-10-9(13(25)17-16(10)32-17)6(4-29-18)5-30-19-11(23)7(22)1-2-28-19/h4,7-27H,1-3,5H2/t7-,8+,9-,10+,11-,12+,13-,14-,15+,16+,17-,18-,19-,20-/m0/s1

0 references

InChIKey

IMEGVKSWPUMUQL-FQCVRPRWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IMEGVKSWPUMUQL-FQCVRPRWSA-N

(Q105115624)

(2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5S,6R,10S)-7-[[(2S,3S,4S)-3,4-dihydroxyoxan-2-yl]oxymethyl]-5-hydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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