(Q104969392)

English

methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

Methyl 2-(hexopyranosyloxy)-4-(2-oxoethyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

388.136946968 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

2 references

based on heuristic

inferred from InChIKey

1 reference

methyl (2R,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (2S,3R,4R)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₁₀

0 references

canonical SMILES

O=CCC1C(=COC(OC2OC(CO)C(O)C(O)C2O)C1C=C)C(=O)OC

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isomeric SMILES

C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1CC=O

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found in taxon

Gentianella nitida

1 reference

stated in

Secoiridoids and xanthones from Gentianella nitida

Catharanthus roseus

1 reference

stated in

Biosynthesis of acidic iridoid monoterpene glucosides in Vinca Rosea

Identifiers

InChI

InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11+,12+,13-,14+,16+,17-/m1/s1

0 references

InChIKey

CSKKDSFETGLMSB-MXIAYOPSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CSKKDSFETGLMSB-MXIAYOPSSA-N

(Q104969392)

methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

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