1-O-all-trans-4-hydroxyretinoyl-beta-glucuronic acid (Q27157468)

CHEBI:84091 (English)

9 October 2016

chemical formula

C₂₆H₃₆O₉

1 reference

CHEBI:84091 (English)

9 October 2016

canonical SMILES

CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)C)C

1 reference

CHEBI:84091 (English)

9 October 2016

isomeric SMILES

CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C

1 reference

CHEBI:84091 (English)

InChI=1S/C26H36O9/c1-14(9-10-18-16(3)12-17(27)13-26(18,4)5)7-6-8-15(2)11-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-11,17,20-23,25,27,29-31H,12-13H2,1-5H3,(H,32,33)/b8-6+,10-9+,14-7+,15-11+/t17?,20-,21-,22+,23-,25+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:84091 (English)

FJTNODQGSYTFKC-GTQBYYIBSA-N

9 October 2016

InChIKey

2 references

CHEBI:84091 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

O~15~-[(2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxyretinoic acid (English)

9 October 2016

2 references

CHEBI:84091 (English)

matched by identifier from

9 October 2016

InChIKey

FJTNODQGSYTFKC-GTQBYYIBSA-N

ChEBI ID

84091

mapping relation type

2 references

1-O-all-trans-4-hydroxyretinoyl-beta-glucuronic acid (English)