LMPK13040016 LIPID_MAPS_STRUCTURE_DATABASE 64 71 0 0 0 999 V2000 12.6159 14.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6585 12.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 15.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7740 15.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5087 11.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8215 11.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 16.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3032 14.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7782 16.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 14.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 10.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3547 12.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8174 10.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9754 12.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6243 16.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3248 16.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1492 15.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 16.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0909 15.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6585 10.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3373 10.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2009 11.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9671 10.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1251 11.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6285 17.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1575 16.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3290 17.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9860 14.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 17.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0909 16.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6542 9.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1918 10.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3331 9.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0379 12.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9671 9.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1210 10.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8322 15.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9860 13.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0909 18.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8839 11.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0379 13.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1126 8.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0868 19.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2406 17.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2623 9.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1126 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2323 19.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3903 18.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2449 16.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4122 8.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2666 7.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9628 7.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3863 19.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2282 20.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5536 17.7907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4164 7.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 9.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2666 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5402 19.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 21.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 7.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7657 14.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8133 12.7066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 8.8090 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 1 0 0 0 2 63 1 6 0 0 0 57 64 1 0 0 0 0 M END > LMPK13040016 > Sennoside A > > C42H38O20 > 862.20 > Polyketides [PK] > Aromatic polyketides [PK13] > Anthracenes and phenanthrenes [PK1304] > - > > IPQVTOJGNYVQEO-KGFNBKMBSA-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 > C10404 > HMDB0034317 > 9112 > - > 24969 > - > 73111 > - > - > - > - > - > 137221 > 5047476 $$$$