(Q27138521)

Militarinone F (English)

1,4-dihydroxy-5-[(1s,4s)-7-oxabicyclo[2.2.1]heptan-1-yl]-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]pyridin-2-one

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₅NO₅

1 reference

Militarinone F (English)

7 October 2016

canonical SMILES

CCC(C)CC(C)C=C(C)C=CC=CC(=O)C1=C(C(=CN(C1=O)O)C23CCC(O2)CC3)O

1 reference

Militarinone F (English)

7 October 2016

isomeric SMILES

CC[C@@H](C)C[C@@H](C)/C=C(\C)/C=C/C=C/C(=O)C1=C(C(=CN(C1=O)O)C23CCC(O2)CC3)O

1 reference

Militarinone F (English)

InChI=1S/C26H35NO5/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-22(28)23-24(29)21(16-27(31)25(23)30)26-12-10-20(32-26)11-13-26/h6-9,15-17,19-20,29,31H,5,10-14H2,1-4H3/b8-6+,9-7+,18-15+/t17-,19-,20?,26?/m1/s1

7 October 2016

Identifiers

InChI

1 reference

Militarinone F (English)

HJCSSOXITDMEEP-ZUOACUPQSA-N

7 October 2016

InChIKey

2 references

Militarinone F (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1,4-Dihydroxy-5-(7-oxabicyclo[2.2.1]hept-1-yl)-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinone (English)

7 October 2016

1 reference

Militarinone F (English)

7 October 2016

ChEBI ID

70180

mapping relation type

1 reference