4-(beta-D-glucopyranuronosyloxy)retinoic acid (Q27157470)

CHEBI:84092 (English)

9 October 2016

chemical formula

C₂₆H₃₆O₉

1 reference

CHEBI:84092 (English)

9 October 2016

canonical SMILES

CC1=C(C(CCC1OC2C(C(C(C(O2)C(=O)O)O)O)O)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

1 reference

CHEBI:84092 (English)

9 October 2016

isomeric SMILES

CC1=C(C(CCC1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C

1 reference

CHEBI:84092 (English)

InChI=1S/C26H36O9/c1-14(7-6-8-15(2)13-19(27)28)9-10-17-16(3)18(11-12-26(17,4)5)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,18,20-23,25,29-31H,11-12H2,1-5H3,(H,27,28)(H,32,33)/b8-6+,10-9+,14-7+,15-13+/t18?,20-,21-,22+,23-,25+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:84092 (English)

LVCMXFSJTNPFHH-YUJSZCEWSA-N

9 October 2016

InChIKey

2 references

CHEBI:84092 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-(beta-D-Glucopyranuronosyloxy)retinoic acid (English)

9 October 2016

2 references

CHEBI:84092 (English)

matched by identifier from

9 October 2016

InChIKey

LVCMXFSJTNPFHH-YUJSZCEWSA-N

ChEBI ID

84092

mapping relation type

2 references

4-(beta-D-glucopyranuronosyloxy)retinoic acid (English)