(Q105114909)

English

methyl (1S,4aR,6S,7R,7aR)-4a,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl (4aR,6S,7S)-1-(beta-D-glucopyranosyloxy)-4a,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (1S,4aR,6S,7R)-4a,6-dihydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl 4a,6-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

1 reference

1 reference

406.147511652 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,4aR,6S,7S,7aR)-4a,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₆O₁₁

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(C)C(O)CC13O

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@]12O

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found in taxon

Eucnide bartonioides

1 reference

stated in

Iridoid glycosides from Eucnide bartonioides

Identifiers

InChI

InChI=1S/C17H26O11/c1-6-8(19)3-17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)9(4-18)27-16/h5-6,8-13,15-16,18-22,24H,3-4H2,1-2H3/t6-,8-,9+,10-,11+,12-,13+,15-,16-,17-/m0/s1

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InChIKey

IKSXXSBNUQXFLT-PUFZJJAZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105114909)

methyl (1S,4aR,6S,7R,7aR)-4a,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

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Identifiers

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