(Q27147985)

CHEBI:78834 (English)

8 October 2016

chemical formula

C₂₀H₂₇NO₇

1 reference

CHEBI:78834 (English)

8 October 2016

canonical SMILES

CC1C(CC(C(O1)OC(C)CCC=CC(=O)NC2=CC=C(C=C2)C(=O)O)O)O

1 reference

CHEBI:78834 (English)

8 October 2016

isomeric SMILES

C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CC/C=C/C(=O)NC2=CC=C(C=C2)C(=O)O)O)O

1 reference

CHEBI:78834 (English)

InChI=1S/C20H27NO7/c1-12(27-20-17(23)11-16(22)13(2)28-20)5-3-4-6-18(24)21-15-9-7-14(8-10-15)19(25)26/h4,6-10,12-13,16-17,20,22-23H,3,5,11H2,1-2H3,(H,21,24)(H,25,26)/b6-4+/t12-,13+,16-,17-,20-/m1/s1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:78834 (English)

8 October 2016

2 references

CHEBI:78834 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

2 references

ascr#8 (English)

8 October 2016

https://commonchemistry.cas.org/detail?cas_rn=1172120-40-9

8 April 2021

1 reference

4-({(2E,6R)-6-[(3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-2-heptenoyl}amino)benzoic acid (English)

8 October 2016

2 references

CHEBI:78834 (English)

8 October 2016

Reaxys registry number

22233428

1 reference

ascr#8 (English)

8 October 2016

mapping relation type

2 references

ascr#8 (English)

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H27NO7/c1-12(27-20-17(23)11-16(22)13(2)28-20)5-3-4-6-18(24)21-15-9-7-14(8-10-15)19(25)26/h4,6-10,12-13,16-17,20,22-23H,3,5,11H2,1-2H3,(H,21,24)(H,25,26)/b6-4+/t12-,13+,16-,17-,20-/m1/s1

1 reference

NMRShiftDB structure ID

60005966

1 reference

DSSTox substance ID

DTXSID001115519

1 reference

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

1 reference