trioxilin A3

trioxilin A<sub>3</sub>




Chemical Formula:
C20H33O5
Molecular Weight:
353.478 Daltons
Monoisotopic Mass:
354.2406242019 Daltons
SMILES:
CCCCCC=CCC(C(C=CC(CC=CCCCC([O-])=O)O)O)O
InChI:
1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/p-1/b9-7-,10-6-,16-15+
InChIKey:
WPLPEZUSILBTGP-ADMPAMIKSA-M

Synonyms
  • (5Z,9E,14Z)-(8ξ,11ξ,12S)-8,11,12-trihydroxyicosa-5,9,14-trienoate

Databases
MetaCyc:  CPD-2046
ChEBI:  15630
PubChem (CID):  25245808
KEGG:  C04843
Reactome:  2142713
MetaNetX:  MNXM5376