57127872 -OEChem-03282420252D 30 29 0 1 0 0 0 0 0999 V2000 8.5991 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 26 1 0 0 0 0 2 8 1 0 0 0 0 2 27 1 0 0 0 0 3 13 1 0 0 0 0 3 30 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 3 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 25 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 M END > 57127872 > 1 > 210 > 4 > 3 > 7 > AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAAAgCIACDSCAAAAAAgAAAICAEAAAgBFBIAAQAAUAAEwAAJEAKIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 7,8-dihydroxydeca-5,9-dienoic acid > 7,8-dihydroxydeca-5,9-dienoic acid > 7,8-dihydroxydeca-5,9-dienoic acid > 7,8-dihydroxydeca-5,9-dienoic acid > 7,8-bis(oxidanyl)deca-5,9-dienoic acid > 7,8-dihydroxydeca-5,9-dienoic acid > InChI=1S/C10H16O4/c1-2-8(11)9(12)6-4-3-5-7-10(13)14/h2,4,6,8-9,11-12H,1,3,5,7H2,(H,13,14) > JJXVLLJWKRZHBM-UHFFFAOYSA-N > 0.2 > 200.10485899 > C10H16O4 > 200.23 > C=CC(C(C=CCCCC(=O)O)O)O > C=CC(C(C=CCCCC(=O)O)O)O > 77.8 > 200.10485899 > 0 > 14 > 0 > 2 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 7 1 3 8 2 3 9 10 1 $$$$