(Q105236751)

English

methyl (1S,4aS,5S,7S,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 5-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

406.147511652 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,4aS,5R,7S,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S)-1alpha-(beta-D-Glucopyranosyloxy)-5beta-hydroxy-7alpha-(hydroxymethyl)-1,4abeta,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Methyl 1-(hexopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₆O₁₁

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)CC3CO

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

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found in taxon

Morinda citrifolia

2 references

stated in

New anthraquinone and iridoid from the fruits of Morinda citrifolia

stated in

Chemical constituents of the fruits of Morinda citrifolia (Noni) and their antioxidant activity.

Spermacoce laevis

1 reference

stated in

(Z)-3-Hexenyl diglycosides from Spermacoce laevis Roxb.

Identifiers

InChI

InChI=1S/C17H26O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h5-6,8-14,16-23H,2-4H2,1H3/t6-,8+,9-,10-,11+,12-,13+,14-,16+,17+/m1/s1

0 references

InChIKey

RIBQJGUEBPBXHM-ZWJRZVIOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RIBQJGUEBPBXHM-ZWJRZVIOSA-N

1 reference

(Q105236751)

methyl (1S,4aS,5S,7S,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

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Identifiers

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