pentalenolactone E(1-) (Q27139091)

pentalenolactone E anion (English)

7 October 2016

chemical formula

C₁₅H₁₇O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(CC2C=C(C3C2(C1)C(=C)C(=O)OC3)C(=O)[O-])C

1 reference

pentalenolactone E anion (English)

7 October 2016

isomeric SMILES

CC1(C[C@H]2C=C([C@H]3[C@]2(C1)C(=C)C(=O)OC3)C(=O)[O-])C

1 reference

pentalenolactone E anion (English)

InChI=1S/C15H18O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,9,11H,1,5-7H2,2-3H3,(H,16,17)/p-1/t9-,11+,15-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

pentalenolactone E anion (English)

VDWJABPVVAYLBS-BPYAMOTFSA-M

7 October 2016

InChIKey

2 references

pentalenolactone E anion (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

7 October 2016

2 references

pentalenolactone E anion (English)

matched by identifier from

7 October 2016

InChIKey

VDWJABPVVAYLBS-BPYAMOTFSA-M

ChEBI ID

70788

mapping relation type

2 references

pentalenolactone E(1-) (English)