(Q27148375)

CHEBI:79321 (English)

8 October 2016

chemical formula

C₂₂H₃₀O₈

1 reference

CHEBI:79321 (English)

8 October 2016

canonical SMILES

CC1C(CC(C(O1)OC(C)CCCCC=CC(=O)O)O)OC(=O)C2=CC=C(C=C2)O

1 reference

CHEBI:79321 (English)

8 October 2016

isomeric SMILES

C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCC/C=C/C(=O)O)O)OC(=O)C2=CC=C(C=C2)O

1 reference

CHEBI:79321 (English)

InChI=1S/C22H30O8/c1-14(7-5-3-4-6-8-20(25)26)28-22-18(24)13-19(15(2)29-22)30-21(27)16-9-11-17(23)12-10-16/h6,8-12,14-15,18-19,22-24H,3-5,7,13H2,1-2H3,(H,25,26)/b8-6+/t14-,15+,18-,19-,22-/m1/s1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:79321 (English)

8 October 2016

InChIKey

2 references

CHEBI:79321 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

2 references

hbas#3 (English)

8 October 2016

https://commonchemistry.cas.org/detail?cas_rn=1355681-25-2

9 April 2021

1 reference

(2E,8R)-8-{[3,6-Dideoxy-4-O-(4-hydroxybenzoyl)-alpha-L-arabino-hexopyranosyl]oxy}-2-nonenoic acid (English)

8 October 2016

2 references

CHEBI:79321 (English)

matched by identifier from

8 October 2016

InChIKey

Reaxys registry number

22233441

1 reference

hbas#3 (English)

8 October 2016

mapping relation type

2 references

hbas#3 (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H30O8/c1-14(7-5-3-4-6-8-20(25)26)28-22-18(24)13-19(15(2)29-22)30-21(27)16-9-11-17(23)12-10-16/h6,8-12,14-15,18-19,22-24H,3-5,7,13H2,1-2H3,(H,25,26)/b8-6+/t14-,15+,18-,19-,22-/m1/s1

1 reference

1 reference

matched by identifier from

InChIKey

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

1 reference