(Q105302124)

English

(3R)-3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

Licoagroside B (Not validated)

1 reference

based on heuristic

inferred from SMILES

mass

432.126776208 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S)-3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-[[6-O-[(3R)-4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl]-beta-D-glucopyranosyl]oxy]-2-methyl-4H-pyran-4-one

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₁₈H₂₄O₁₂

0 references

canonical SMILES

O=C(O)CC(O)(C)CC(=O)OCC1OC(OC=2C(=O)C=COC2C)C(O)C(O)C1O

0 references

isomeric SMILES

Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)C[C@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@@H]1O

0 references

found in taxon

liquorice

1 reference

stated in

Flavonoid constituents from Glycyrrhiza glabra hairy root cultures

Identifiers

InChI

InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15+,17+,18-/m1/s1

0 references

InChIKey

WCVUIHQUPRXYKT-SHGKDMENSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WCVUIHQUPRXYKT-SHGKDMENSA-N

(Q105302124)

(3R)-3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acid

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