(Q105269987)

English

(3S)-4-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methyl-4-oxobutanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

4-[2-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methyl-4-oxobutanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

386.121296904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3'-O-beta-D-Glucopyranosyl plumbagic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₁₀

0 references

canonical SMILES

O=C(O)CC(C(=O)C=1C=CC=C(OC2OC(CO)C(O)C(O)C2O)C1O)C

0 references

isomeric SMILES

C[C@@H](CC(=O)O)C(=O)c1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O

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found in taxon

Plumbago zeylanica

1 reference

stated in

Cytotoxic naphthoquinones and plumbagic acid glucosides from Plumbago zeylanica

Identifiers

InChI

InChI=1S/C17H22O10/c1-7(5-11(19)20)12(21)8-3-2-4-9(13(8)22)26-17-16(25)15(24)14(23)10(6-18)27-17/h2-4,7,10,14-18,22-25H,5-6H2,1H3,(H,19,20)/t7-,10+,14+,15-,16+,17+/m0/s1

0 references

InChIKey

UCLRISWUPMTSAO-RBSWKTNZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UCLRISWUPMTSAO-RBSWKTNZSA-N

(Q105269987)

(3S)-4-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methyl-4-oxobutanoic acid

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