(Q27139090)

pentalenolactone D anion (English)

7 October 2016

chemical formula

C₁₅H₁₉O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1C(=O)OCC2C13CC(CC3C=C2C(=O)[O-])(C)C

1 reference

pentalenolactone D anion (English)

7 October 2016

isomeric SMILES

C[C@@H]1C(=O)OC[C@@H]2[C@]13CC(C[C@H]3C=C2C(=O)[O-])(C)C

1 reference

pentalenolactone D anion (English)

InChI=1S/C15H20O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,16,17)/p-1/t8-,9-,11+,15-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

pentalenolactone D anion (English)

MRLXXQBBRNRWDA-LIEMUPCESA-M

7 October 2016

InChIKey

2 references

pentalenolactone D anion (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(4S,4aR,7aS,9aR)-4,6,6-Trimethyl-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylate (English)

7 October 2016

1 reference

pentalenolactone D anion (English)

7 October 2016

ChEBI ID

70787

mapping relation type

2 references

pentalenolactone D(1-) (English)