(Q105348137)

English

(2R,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-yl]methoxy]-6-(hydroxymethyl)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-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-yl]methoxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

508.179205704 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₁₄

0 references

canonical SMILES

OCC1OC(OCC2=COC(OC3OC(CO)C(O)C(O)C3O)C4C=CC(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=C[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O

0 references

found in taxon

Mentzelia lindleyi

1 reference

stated in

Iridoid mono- and di-glycosides in Mentzelia

Identifiers

InChI

InChI=1S/C21H32O14/c22-3-10-13(25)15(27)17(29)20(33-10)32-6-7-5-31-19(8-1-2-9(24)12(7)8)35-21-18(30)16(28)14(26)11(4-23)34-21/h1-2,5,8-30H,3-4,6H2/t8-,9-,10-,11-,12-,13-,14-,15+,16+,17-,18-,19+,20-,21+/m1/s1

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InChIKey

YGLJAXLYCNMHMQ-SSVFOZSJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YGLJAXLYCNMHMQ-SSVFOZSJSA-N

(Q105348137)

(2R,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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