HCA_skeleton.mol Ketcher 12202315222D 43 46 0 0 0 0 0 0 0 0999 V2000 10.9929 8.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9874 10.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1463 9.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1359 8.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8568 9.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8533 8.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5736 8.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5770 9.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7186 10.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9901 9.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8953 10.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7220 11.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5639 11.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7199 12.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4022 11.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2441 11.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8522 7.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 8.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 7.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1359 6.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9929 7.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4315 8.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5821 8.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5821 7.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4315 6.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 9.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 6.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8423 6.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2441 12.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0935 11.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 6.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5221 10.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 11.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1359 7.7997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9595 11.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8256 11.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8256 10.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6916 11.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1359 5.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9596 12.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4611 12.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4611 13.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1611 12.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 1 6 1 0 5 2 1 0 2 3 1 0 3 4 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 5 1 0 6 7 1 0 1 10 1 1 5 11 1 1 9 12 1 0 12 13 1 0 12 14 1 1 13 15 1 0 15 16 1 0 6 17 1 6 4 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 1 1 0 18 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 19 1 0 18 26 1 1 24 27 1 6 21 28 1 6 16 29 2 0 16 30 1 0 19 31 1 1 9 32 1 6 12 33 1 6 4 34 1 6 30 35 1 0 35 36 1 1 36 37 2 0 36 38 1 0 20 39 1 6 35 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 M END > LMST0506A107 > Asp-HCA > N-(3alpha,6alpha,7alpha-trihydroxy-5beta-cholan-24-oyl)-aspartic acid > C28H45NO8 > 523.31 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Amino acid conjugates [ST0506] > - > > - > - > - > - > - > - > - > - > - > - > - > - > Active (generated by computational methods) > - $$$$