Paeonin B (Q27135343)

CHEBI:66720 (English)

[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

[(1S,2R,3S,5S,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

1 reference

1 reference

C₂₃H₂₈O₁₁

1 reference

CHEBI:66720 (English)

7 October 2016

canonical SMILES

CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O

1 reference

CHEBI:66720 (English)

7 October 2016

isomeric SMILES

C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O

1 reference

Monoterpene glucosides from Paeonia lactiflora

CHEBI:66720 (English)

7 October 2016

1 reference

Paeonia emodi

1 reference

stated in

Paeonins A and B, Lipoxygenase Inhibiting Monoterpene Galactosides from Paeonia emodi.

Identifiers

InChI

InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14+,15+,16-,18+,19+,20+,21+,22-,23+/m1/s1

1 reference

CHEBI:66720 (English)

YKRGDOXKVOZESV-COKHGNMNSA-N

7 October 2016

InChIKey

2 references

CHEBI:66720 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

[(1S,2S,3R,5R,6R,8S)-3-(beta-D-Galactopyranosyloxy)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0~2,5~.0~3,8~]dec-2-yl]methyl benzoate (English)

7 October 2016

2 references

CHEBI:66720 (English)

matched by identifier from

7 October 2016

InChIKey

YKRGDOXKVOZESV-COKHGNMNSA-N

ChEBI ID

66720

mapping relation type

2 references

Paeonin B (English)