(Q105193878)

English

[(1aS)-6alpha-Hydroxy-1a-(hydroxymethyl)-1a,1balpha,2,5aalpha,6,6abeta-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2alpha-yl]3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

524.174120324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₂O₁₅

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canonical SMILES

OCC1OC(OC2C(O)C(OC3OC=CC4C(O)C5OC5(CO)C34)OC(CO)C2O)C(O)C(O)C1O

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isomeric SMILES

OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3OC=C[C@H]4[C@H](O)[C@@H]5O[C@]5(CO)[C@@H]34)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Asystasia gangetica

1 reference

stated in

Aliphatic alcohol and iridoid glycosides from Asystasia intrusa

Asystasia intrusa

1 reference

stated in

Aliphatic alcohol and iridoid glycosides from Asystasia intrusa

Identifiers

InChI

InChI=1S/C21H32O15/c22-3-7-11(26)13(28)14(29)19(32-7)34-16-12(27)8(4-23)33-20(15(16)30)35-18-9-6(1-2-31-18)10(25)17-21(9,5-24)36-17/h1-2,6-20,22-30H,3-5H2/t6-,7-,8-,9-,10+,11-,12-,13+,14-,15-,16+,17+,18+,19+,20+,21-/m1/s1

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InChIKey

OLAXRWCUBBFTCW-YVHMCYQWSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105193878)

[(1aS)-6alpha-Hydroxy-1a-(hydroxymethyl)-1a,1balpha,2,5aalpha,6,6abeta-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2alpha-yl]3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

Statements

Identifiers

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