(Q104984867)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(1S,5S,6R,10S)-2-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

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

stereoisomer of

[(1aS)-1a,1balpha,2,5aalpha,6,6abeta-Hexahydro-6alpha-(beta-D-glucopyranosyloxy)-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2alpha-yl]beta-D-glucopyranoside

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₁H₃₂O₁₅

0 references

canonical SMILES

OCC1OC(OC2OC=CC3C(OC4OC(CO)C(O)C(O)C4O)C5OC5(CO)C23)C(O)C(O)C1O

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isomeric SMILES

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

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found in taxon

Rehmannia glutinosa

1 reference

stated in

Iridoid glycosides of Rehmannia glutinosa

Phellodendron amurense

1 reference

stated in

Rapid identification and comparative analysis of the chemical constituents and metabolites of Phellodendri amurensis cortex and Zhibai dihuang pill by ultra-performance liquid chromatography with quadrupole TOF-MS.

Identifiers

InChI

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

DLYKKFLQWHNOKY-KNZGACPRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DLYKKFLQWHNOKY-KNZGACPRSA-N

1 reference

(Q104984867)

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

Statements

Identifiers

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