(Q27130997)

1 February 2021

mass

233.154±0 dalton

1 reference

germacra-1(10),4,11(13)-trien-12-oate (English)

7 October 2016

chemical formula

C₁₅H₂₁O₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CCCC(=CCC(CC1)C(=C)C(=O)[O-])C

1 reference

germacra-1(10),4,11(13)-trien-12-oate (English)

7 October 2016

isomeric SMILES

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

1 reference

germacra-1(10),4,11(13)-trien-12-oate (English)

InChI=1S/C15H22O2/c1-11-5-4-6-12(2)8-10-14(9-7-11)13(3)15(16)17/h5,8,14H,3-4,6-7,9-10H2,1-2H3,(H,16,17)/p-1/b11-5+,12-8+/t14-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

germacra-1(10),4,11(13)-trien-12-oate (English)

IBJVPIJUFFVDBS-JBMXZMKISA-M

7 October 2016

InChIKey

2 references

germacra-1(10),4,11(13)-trien-12-oate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-[(1R,3E,7E)-4,8-Dimethyl-3,7-cyclodecadien-1-yl]acrylate (English)

7 October 2016

1 reference

germacra-1(10),4,11(13)-trien-12-oate (English)

7 October 2016

ChEBI ID

61301

mapping relation type

1 reference