(Q27125054)

1 February 2021

mass

575.41±0 dalton

1 reference

3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate (English)

6 October 2016

chemical formula

C₃₈H₅₅O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate (English)

6 October 2016

isomeric SMILES

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

1 reference

3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate (English)

InChI=1S/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/p-1/b29-16+,30-18+,31-20+,32-22+,33-24+

6 October 2016

Identifiers

InChI

1 reference

3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate (English)

YSZSVGFMAJXGMQ-FRICUITQSA-M

6 October 2016

InChIKey

2 references

3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-4-hydroxy-5-methoxy-benzoate (English)

6 October 2016

1 reference

3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate (English)

6 October 2016

ChEBI ID

57916

mapping relation type

1 reference