4-hydroxy-3-octaprenylbenzoate (Q27105481)

1 February 2021

mass

681.524671±0 dalton

1 reference

3-octaprenyl-4-hydroxybenzoate (English)

5 October 2016

chemical formula

C₄₇H₆₉O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1)C(=O)O)[O-])C)C)C)C)C)C)C)C

1 reference

3-octaprenyl-4-hydroxybenzoate (English)

5 October 2016

isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)C(=O)O)[O-])/C)/C)/C)/C)/C)/C)/C)C

1 reference

3-octaprenyl-4-hydroxybenzoate (English)

InChI=1S/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50)/p-1/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+

5 October 2016

Identifiers

InChI

1 reference

3-octaprenyl-4-hydroxybenzoate (English)

UTIBHEBNILDQKX-LQOKPSQISA-M

5 October 2016

InChIKey

2 references

3-octaprenyl-4-hydroxybenzoate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-Hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl]benzoate (English)

5 October 2016

1 reference

3-octaprenyl-4-hydroxybenzoate (English)

5 October 2016

ChEBI ID

1617

mapping relation type

1 reference