(Q27145761)

CHEBI:76115 (English)

(2S,3S)-trans-fertaric acid

8 October 2016

stereoisomer of

2 references

inferred from InChIKey

(2R,3R)-trans-fertaric acid

inferred from InChI

2 references

inferred from InChIKey

(2S,3S)-cis-fertaric acid

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₁₄H₁₄O₉

1 reference

CHEBI:76115 (English)

8 October 2016

canonical SMILES

COC1=C(C=CC(=C1)C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O

1 reference

CHEBI:76115 (English)

8 October 2016

isomeric SMILES

COC1=C(C=CC(=C1)/C=C\C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O

1 reference

CHEBI:76115 (English)

InChI=1S/C14H14O9/c1-22-9-6-7(2-4-8(9)15)3-5-10(16)23-12(14(20)21)11(17)13(18)19/h2-6,11-12,15,17H,1H3,(H,18,19)(H,20,21)/b5-3-/t11-,12-/m1/s1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:76115 (English)

XIWXUSFCUBAMFH-USKJLILSSA-N

8 October 2016

InChIKey

2 references

CHEBI:76115 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R,3R)-2-Hydroxy-3-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}succinic acid (English)

8 October 2016

2 references

CHEBI:76115 (English)

matched by identifier from

8 October 2016

InChIKey

XIWXUSFCUBAMFH-USKJLILSSA-N

Reaxys registry number

22563904

1 reference

(2R,3R)-cis-fertaric acid (English)

8 October 2016

ChEBI ID

76115

mapping relation type

2 references

(2R,3R)-cis-fertaric acid (English)