bkas#38(1-) CDK 0207182330 34 34 0 0 0 0 0 0 0 0999 V2000 21.4341 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 -14.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7197 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 -14.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5775 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -14.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0065 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -14.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.0065 -15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 -15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 -14.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1486 -15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 2 25 1 0 0 0 0 26 25 1 6 0 0 0 26 27 1 0 0 0 0 28 27 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 33 32 1 0 0 0 0 26 33 1 0 0 0 0 33 34 1 1 0 0 0 M CHG 1 23 -1 M END > CHEBI:139889 > bkas#38(1-) > Conjugate base of bkas#38 > 2 > C27H49O7 > 485.675 > 485.34838 > -1 > C[C@H](CCCCCCCCCCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O > InChI=1S/C27H50O7/c1-21(33-27-25(30)20-24(29)22(2)34-27)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(28)19-26(31)32/h21-22,24-25,27,29-30H,3-20H2,1-2H3,(H,31,32)/p-1/t21-,22+,24-,25-,27-/m1/s1 > NJKRNAJKXVWNFU-OPYPCFFTSA-M $$$$