(9R,13R)-12-oxophytodienoate (Q27126703)

CHEBI:59427 (English)

(15Z)-12-oxophyto-10,15-dienoate

6 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₇O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)[O-]

1 reference

CHEBI:59427 (English)

6 October 2016

isomeric SMILES

CC/C=C\C[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)[O-]

1 reference

CHEBI:59427 (English)

InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/p-1/b7-3-/t15-,16-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:59427 (English)

PMTMAFAPLCGXGK-GTOOTHNYSA-M

6 October 2016

InChIKey

2 references

CHEBI:59427 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

8-{(1R,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoate (English)

6 October 2016

2 references

CHEBI:59427 (English)

matched by identifier from

6 October 2016

InChIKey

PMTMAFAPLCGXGK-GTOOTHNYSA-M

ChEBI ID

59427

mapping relation type

2 references

(9R,13R)-12-oxophytodienoate (English)