LMPK13040017 LIPID_MAPS_STRUCTURE_DATABASE 64 71 0 0 0 999 V2000 12.6590 14.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6589 12.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4914 15.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7933 15.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4912 11.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8265 11.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4914 16.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3236 14.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7933 16.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9609 14.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4912 10.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3569 12.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8265 10.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9609 12.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 16.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3570 16.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1893 15.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9609 16.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 15.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6589 10.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3236 10.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1893 11.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9609 10.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 11.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 17.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1893 16.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3570 17.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0216 14.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9609 17.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 16.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6589 9.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1893 10.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3236 9.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0216 12.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9609 9.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 10.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8540 15.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0216 13.8517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 18.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8873 11.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0216 13.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 8.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 19.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 17.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 9.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 7.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 19.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 18.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2962 16.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 8.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 7.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9609 7.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 19.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 20.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5983 17.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 7.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5649 9.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5651 19.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 21.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5649 7.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7933 14.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8265 12.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 8.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 13 2 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 2 0 0 0 0 9 18 1 0 0 0 0 10 19 2 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 2 0 0 0 0 13 23 1 0 0 0 0 14 24 2 0 0 0 0 15 25 2 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 2 0 0 0 0 20 31 2 0 0 0 0 21 32 2 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 2 0 0 0 0 28 37 1 0 0 0 0 28 38 2 0 0 0 0 39 29 1 1 0 0 0 34 40 1 0 0 0 0 34 41 2 0 0 0 0 42 35 1 1 0 0 0 39 43 1 0 0 0 0 39 44 1 0 0 0 0 42 45 1 0 0 0 0 42 46 1 0 0 0 0 43 47 1 0 0 0 0 44 48 1 0 0 0 0 44 49 1 6 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 46 52 1 6 0 0 0 47 53 1 0 0 0 0 47 54 1 1 0 0 0 48 55 1 1 0 0 0 50 56 1 0 0 0 0 50 57 1 1 0 0 0 51 58 1 1 0 0 0 53 59 1 6 0 0 0 54 60 1 0 0 0 0 56 61 1 6 0 0 0 9 15 1 0 0 0 0 13 20 1 0 0 0 0 17 26 1 0 0 0 0 19 30 1 0 0 0 0 22 32 1 0 0 0 0 24 36 1 0 0 0 0 48 53 1 0 0 0 0 51 56 1 0 0 0 0 1 62 1 6 0 0 0 2 63 1 6 0 0 0 57 64 1 0 0 0 0 M END > LMPK13040017 > Sennoside B > > C42H38O20 > 862.20 > Polyketides [PK] > Aromatic polyketides [PK13] > Anthracenes and phenanthrenes [PK1304] > - > > IPQVTOJGNYVQEO-AIFLABODSA-N > InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1 > [C@]1([H])(C2C=CC=C(O[C@H]3[C@H](O)[C@H]([C@H](O)[C@@H](CO)O3)O)C=2C(=O)C2C(O)=CC(C(=O)O)=CC1=2)[C@]1([H])C2C=CC=C(O[C@H]3[C@H](O)[C@H]([C@H](O)[C@@H](CO)O3)O)C=2C(=O)C2C(O)=CC(C(=O)O)=CC1=2 > C13526 > HMDB0002783 > 34975 > - > 28410 > - > 91440 > - > - > - > - > - > 137221 > 5047476 $$$$