(Q105182825)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

508.179205704 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₁₄

0 references

canonical SMILES

OCC1=CC(O)C2C=COC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C12

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isomeric SMILES

OCC1=C[C@@H](O)[C@H]2C=CO[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12

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found in taxon

Lathraea squamaria

1 reference

stated in

Iridoid glycosides from Lathraea squamaria

Identifiers

InChI

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

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InChIKey

NOVFAHFRCMKDBE-QERRQYKESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105182825)

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

Statements

Identifiers

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