CDK 1029232201 60 65 0 0 0 0 0 0 0 0999 V2000 5.7419 -2.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0775 -1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8509 -1.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5926 -0.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3995 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0405 -0.0769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1800 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6545 0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9751 -1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2955 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4274 0.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4615 0.4377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1024 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7585 -0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0135 -0.1755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7164 1.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9094 1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8205 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0754 0.7807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9920 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6051 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8824 0.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 1.7368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5853 2.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9443 1.9084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8402 3.1346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4963 1.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1992 2.6930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2882 3.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6472 3.3061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3033 1.4668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0062 2.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4812 3.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5431 4.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9021 4.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5582 2.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8553 0.8537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3652 2.4230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6004 0.0691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6623 1.0253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9172 1.8099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6202 3.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1524 -0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2143 0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7242 1.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4271 3.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9594 -0.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8975 -1.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 1 0 0 0 4 5 1 0 0 0 0 6 4 1 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 10 6 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 6 0 0 0 7 13 1 0 0 0 0 14 8 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 17 10 1 0 0 0 0 18 14 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 6 0 0 0 17 21 1 0 0 0 0 17 22 1 1 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 21 25 1 0 0 0 0 26 23 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 6 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 33 30 1 6 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 37 33 1 0 0 0 0 38 36 1 0 0 0 0 37 39 1 1 0 0 0 40 37 1 0 0 0 0 38 41 1 6 0 0 0 42 38 1 0 0 0 0 43 39 1 6 0 0 0 40 44 1 6 0 0 0 41 45 2 0 0 0 0 41 46 1 0 0 0 0 42 47 1 1 0 0 0 43 48 1 0 0 0 0 49 43 1 0 0 0 0 50 48 1 0 0 0 0 49 51 1 1 0 0 0 52 49 1 0 0 0 0 53 50 1 0 0 0 0 50 54 1 6 0 0 0 51 55 1 0 0 0 0 52 56 1 6 0 0 0 53 57 1 1 0 0 0 54 58 1 0 0 0 0 55 59 2 0 0 0 0 55 60 1 0 0 0 0 10 13 1 6 0 0 0 11 15 1 0 0 0 0 18 16 1 6 0 0 0 24 26 1 0 0 0 0 40 42 1 0 0 0 0 52 53 1 0 0 0 0 M END > CHEBI:202786 > Eryloside W > 2 > (2S,3S,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3S,5R,10S,13R,14S,17R)-14-carboxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid > C45H71NO14 > 850.056 > 849.48746 > 0 > O=C(O)[C@]12C3=C([C@@]4([C@H](C([C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6NC(=O)C)O)CO)O)CC4)(C)C)CC3)C)CC[C@@]1([C@@H]([C@@H](CCC(=C)C(C)C)C)CC2)C > InChI=1S/C45H71NO14/c1-21(2)22(3)10-11-23(4)25-15-19-45(41(55)56)27-12-13-29-42(6,7)30(16-17-43(29,8)26(27)14-18-44(25,45)9)58-40-37(35(52)34(51)36(59-40)38(53)54)60-39-31(46-24(5)48)33(50)32(49)28(20-47)57-39/h21,23,25,28-37,39-40,47,49-52H,3,10-20H2,1-2,4-9H3,(H,46,48)(H,53,54)(H,55,56)/t23-,25-,28-,29+,30+,31-,32-,33-,34+,35+,36+,37-,39+,40-,43-,44-,45+/m1/s1 > CJRHQSVFLRQTFX-ONVOSXMSSA-N $$$$