(Q105123700)

English

[(1aS)-1abeta-[(Benzoyloxy)methyl]-6alpha-hydroxy-1a,1balpha,2,5aalpha,6,6abeta-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2alpha-yl]beta-D-glucopyranoside

chemical compound

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instance of

type of chemical entity

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subclass of

[5-Hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl benzoate

1 reference

1 reference

466.147511652 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4R,5S,6R,10S)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl benzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2S,4S,5S,6S,10S)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl benzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,4S,5S,6S,10S)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₆O₁₁

0 references

canonical SMILES

O=C(OCC12OC2C(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C31)C=5C=CC=CC5

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isomeric SMILES

O=C(OC[C@]12O[C@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12)c1ccccc1

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found in taxon

Globularia bisnagarica

1 reference

stated in

ChemInform Abstract: Flavonoid, Phenylethanoid and Iridoid Glycosides from Globularia aphyllanthes

Globularia davisiana

1 reference

stated in

Iridoid glycosides from Globularia davisiana

Penstemon auriberbis

1 reference

stated in

Iridoid glycosides from Penstemon species: A C-5, C-9 trans iridoid and C-8 epimeric pairs

Plantago patagonica

1 reference

stated in

Chemotaxonomy of Plantago. Iridoid glucosides and caffeoyl phenylethanoid glycosides.

Identifiers

InChI

InChI=1S/C22H26O11/c23-8-12-15(25)16(26)17(27)21(31-12)32-20-13-11(6-7-29-20)14(24)18-22(13,33-18)9-30-19(28)10-4-2-1-3-5-10/h1-7,11-18,20-21,23-27H,8-9H2/t11-,12-,13-,14+,15-,16+,17-,18+,20+,21+,22-/m1/s1

0 references

InChIKey

JADZPWILSJVZBO-LHBWGZIGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JADZPWILSJVZBO-LHBWGZIGSA-N

1 reference

(Q105123700)

[(1aS)-1abeta-[(Benzoyloxy)methyl]-6alpha-hydroxy-1a,1balpha,2,5aalpha,6,6abeta-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2alpha-yl]beta-D-glucopyranoside

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Identifiers

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