(Q105362494)

English

methyl (1S,3S,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl (4aS,8aS)-3-hydroxy-1-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

1 reference

1 reference

406.147511652 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(7Alpha-Hydroxy)-Morroniside

1 reference

based on heuristic

inferred from InChI

methyl (1S,3S,4aS,8R,8aR)-3-hydroxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1S,3R,4aS,8R,8aS)-3-hydroxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-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(OC(O)CC13)C

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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)O[C@H](O)C[C@H]12

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found in taxon

Chione venosa

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stated in

Phenolic and terpenoid compounds from Chione venosa (sw.) urban var. venosa (Bois Bandé).

Lonicera morrowii

1 reference

stated in

Structures of iridoids from lonicera morrowii a. gray

Identifiers

InChI

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

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InChIKey

YTZSBJLNMIQROD-YXCIDJMISA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105362494)

methyl (1S,3S,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

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