Ketcher 07181612122D 1 1.00000 0.00000 0 25 25 0 1 0 999 V2000 8.1495 -2.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9516 -1.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8541 -2.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7065 -1.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5588 -2.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7065 -0.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4116 -2.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4116 -3.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5433 -3.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5433 -4.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4118 -5.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4118 -6.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2801 -6.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1487 -6.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0171 -6.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8854 -6.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2801 -7.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8854 -5.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7537 -4.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6221 -5.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4906 -4.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3590 -5.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8854 -7.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4115 -8.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 6 2 0 0 0 1 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 14 18 1 6 0 0 17 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 17 24 1 1 0 0 16 17 1 0 0 0 16 24 1 1 0 0 18 25 1 0 0 0 M END > CHEBI:132681 > (12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoic acid > A hydroperoxy fatty acid that is (14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoic acid in which the hydroperoxy group is located at position 12S. > 3 > (12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-eicosatrienoic acid; (12S)-hydroperoxy-(14S,15R)-EET; (12S)-HP-(14S,15R)-EET > (5Z,8Z,10E,12S)-12-hydroperoxy-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-5,8,10-trienoic acid > C20H32O5 > 352.466 > 352.22497 > 0 > C(CCC(O)=O)/C=C\C/C=C\C=C\[C@H](C[C@H]1[C@@H](CCCCC)O1)OO > InChI=1S/C20H32O5/c1-2-3-10-14-18-19(24-18)16-17(25-23)13-11-8-6-4-5-7-9-12-15-20(21)22/h5-8,11,13,17-19,23H,2-4,9-10,12,14-16H2,1H3,(H,21,22)/b7-5-,8-6-,13-11+/t17-,18-,19+/m1/s1 > FRAUAYJDJWCREF-FEXRMQIKSA-N > 25293588 $$$$