4-hydroxy-3-all-trans-nonaprenylbenzoate (Q27157808)

1 February 2021

mass

749.587271±0 dalton

1 reference

3-solanesyl-4-hydroxybenzoate (English)

9 October 2016

chemical formula

C₅₂H₇₇O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

3-solanesyl-4-hydroxybenzoate (English)

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

1 reference

3-solanesyl-4-hydroxybenzoate (English)

InChI=1S/C52H78O3/c1-40(2)19-11-20-41(3)21-12-22-42(4)23-13-24-43(5)25-14-26-44(6)27-15-28-45(7)29-16-30-46(8)31-17-32-47(9)33-18-34-48(10)35-36-49-39-50(52(54)55)37-38-51(49)53/h19,21,23,25,27,29,31,33,35,37-39,53H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,54,55)/p-1/b41-21+,42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+

9 October 2016

Identifiers

InChI

1 reference

3-solanesyl-4-hydroxybenzoate (English)

YKKKMRBEPIZPBH-XWEAJCOCSA-M

9 October 2016

InChIKey

2 references

3-solanesyl-4-hydroxybenzoate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-Hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]benzoate (English)

9 October 2016

2 references

3-solanesyl-4-hydroxybenzoate (English)

matched by identifier from

9 October 2016

InChIKey

YKKKMRBEPIZPBH-XWEAJCOCSA-M

ChEBI ID

84502

mapping relation type

2 references

4-hydroxy-3-all-trans-nonaprenylbenzoate (English)