(Q105151023)

English

methyl (1R,3S,4aS,8S,8aS)-3-hydroxy-1-(hydroxymethyl)-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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 6-hydroxy-8-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

422.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

10-Hydroxymorroniside

1 reference

based on heuristic

inferred from InChI

methyl (1R,3R,4aS,8S,8aS)-3-hydroxy-1-(hydroxymethyl)-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

C₁₇H₂₆O₁₂

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(OC(O)CC13)CO

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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]1C[C@@H](O)O[C@H]2CO

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found in taxon

Galium album

1 reference

stated in

Iridoid glucosides from Galium album and G. lovcense

Galium mollugo

2 references

stated in

Iridoid glucosides from Galium album and G. lovcense

stated in

Iridoids from Galium mollugo

Galium lovcense

1 reference

stated in

Iridoid glucosides from Galium album and G. lovcense

Galium rhodopeum

1 reference

stated in

Iridoid glucosides from Galium album and G. lovcense

Identifiers

InChI

InChI=1S/C17H26O12/c1-25-15(24)7-5-26-16(11-6(7)2-10(20)27-8(11)3-18)29-17-14(23)13(22)12(21)9(4-19)28-17/h5-6,8-14,16-23H,2-4H2,1H3/t6-,8+,9-,10+,11+,12-,13+,14-,16+,17+/m1/s1

0 references

InChIKey

LFIATFJGPFQPKL-ZYKIVHAUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LFIATFJGPFQPKL-ZYKIVHAUSA-N

(Q105151023)

methyl (1R,3S,4aS,8S,8aS)-3-hydroxy-1-(hydroxymethyl)-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

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Identifiers

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