(Q104995694)

English

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,2R,4S,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-7-yl]methoxy]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

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

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,2R,4S,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-7-yl]methoxy]oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₁₅

0 references

canonical SMILES

OCC1OC(OCC2=COC(OC3OC(CO)C(O)C(O)C3O)C4C5OC5C(O)C24)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]3O[C@H](CO)[C@@H](O)[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

0 references

found in taxon

Mentzelia lindheimeri

1 reference

stated in

Iridoid mono- and di-glycosides in Mentzelia

Identifiers

InChI

InChI=1S/C21H32O15/c22-1-6-10(24)13(27)15(29)20(33-6)32-4-5-3-31-19(9-8(5)12(26)18-17(9)35-18)36-21-16(30)14(28)11(25)7(2-23)34-21/h3,6-30H,1-2,4H2/t6-,7-,8+,9-,10-,11-,12+,13+,14+,15-,16-,17-,18+,19+,20-,21+/m1/s1

0 references

InChIKey

FIGUSWFYYYSJLX-CEMHTAPLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104995694)

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,2R,4S,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-7-yl]methoxy]oxane-3,4,5-triol

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Identifiers

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