(Q105119707)

English

(3R,4S)-3-(hydroxymethyl)-4-[(2S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]oxan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-(Hydroxymethyl)-4-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]oxan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

362.157682412 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3beta-(Hydroxymethyl)-3,4,5,6-tetrahydro-4alpha-[(R)-1-[(beta-D-glucopyranosyloxy)methyl]-2-propenyl]-2H-pyran-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,4S)-3-(hydroxymethyl)-4-[(2S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]oxan-2-one

1 reference

based on heuristic

inferred from InChI

(3S,4R)-3-(hydroxymethyl)-4-[(2R)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]oxan-2-one

1 reference

based on heuristic

inferred from InChI

1-O-beta-D-Glucopyranosyl-4-epiamplexine

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₆O₉

0 references

canonical SMILES

O=C1OCCC(C(C=C)COC2OC(CO)C(O)C(O)C2O)C1CO

0 references

isomeric SMILES

C=C[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CCOC(=O)[C@H]1CO

0 references

found in taxon

Metagentiana rhodantha

1 reference

stated in

Phenolic compounds from the whole plants of Gentiana rhodantha (Gentianaceae).

Identifiers

InChI

InChI=1S/C16H26O9/c1-2-8(9-3-4-23-15(22)10(9)5-17)7-24-16-14(21)13(20)12(19)11(6-18)25-16/h2,8-14,16-21H,1,3-7H2/t8-,9+,10+,11-,12-,13+,14-,16-/m1/s1

0 references

InChIKey

ISPPLOMGZOFTJR-SPQYIFIBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ISPPLOMGZOFTJR-SPQYIFIBSA-N

(Q105119707)

(3R,4S)-3-(hydroxymethyl)-4-[(2S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]oxan-2-one

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Identifiers

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