LMPR0104390001 LIPID_MAPS_STRUCTURE_DATABASE 62 68 0 0 0 0 0 0 0 0999 V2000 13.4029 9.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0666 9.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9239 9.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4029 10.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7303 9.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7577 8.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0598 8.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4390 9.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9342 7.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3936 11.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0666 10.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 11.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3770 9.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7303 10.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7748 8.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4390 9.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7753 8.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4288 8.4397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2636 7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7788 11.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4073 11.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0700 11.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4967 8.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7680 7.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7753 10.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 10.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9965 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1116 9.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2534 6.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6067 7.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1150 11.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1116 9.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2323 8.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5896 6.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9205 6.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1150 12.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4479 10.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4623 9.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5759 5.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9068 5.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7788 12.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4547 12.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7678 8.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4623 9.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2397 5.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0767 9.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7678 7.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3856 8.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0767 9.9450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6911 9.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3856 7.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3822 10.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6911 7.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3822 11.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6911 9.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6877 11.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0733 11.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6877 12.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0733 12.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3822 12.7403 0.0000 C 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 1 0 0 0 2 7 1 6 0 0 0 3 8 1 0 0 0 0 3 9 1 6 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 1 0 0 0 5 13 1 1 0 0 0 5 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 1 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 2 0 0 0 0 11 22 1 1 0 0 0 15 23 1 0 0 0 0 15 24 2 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 2 0 0 0 0 20 31 1 1 0 0 0 25 32 2 0 0 0 0 28 33 1 6 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 35 40 2 0 0 0 0 36 41 1 0 0 0 0 36 42 2 0 0 0 0 38 43 1 0 0 0 0 38 44 2 0 0 0 0 39 45 2 0 0 0 0 43 46 1 0 0 0 0 43 47 1 6 0 0 0 46 48 1 0 0 0 0 46 49 1 6 0 0 0 48 50 2 0 0 0 0 48 51 1 0 0 0 0 49 52 1 0 0 0 0 50 53 1 0 0 0 0 51 54 2 0 0 0 0 52 55 1 0 0 0 0 52 56 2 0 0 0 0 53 57 2 0 0 0 0 55 58 1 0 0 0 0 55 59 2 0 0 0 0 58 60 2 0 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 6 13 1 0 0 0 0 11 14 1 0 0 0 0 20 25 1 0 0 0 0 28 32 1 0 0 0 0 40 45 1 0 0 0 0 54 57 1 0 0 0 0 61 62 2 0 0 0 0 M END > LMPR0104390001 > Paclitaxel > > C47H51NO14 > 853.33 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Taxane and Abeotaxane diterpenoids [PR010439] > > RCINICONZNJXQF-VAZQATRQSA-N > InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1 > C12[C@@](C)([C@H](C[C@H]3OC[C@@]13OC(=O)C)O)C(=O)[C@@H](C1=C([C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)C3=CC=CC=C3)C3C=CC=CC=3)C[C@](O)(C1(C)C)[C@H]2OC(=O)C1C=CC=CC=1)C)OC(=O)C > C07394 > - > - > - > - > - > 441276 > - > - > - > - > - > - > - $$$$