CDK 1030232201 88 97 0 0 0 0 0 0 0 0999 V2000 9.5441 1.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7596 1.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0921 1.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5048 0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4247 1.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1496 -0.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6798 0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2530 2.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8117 0.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7606 -0.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5781 -1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 -0.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1654 1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4683 2.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0772 1.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7956 -1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1956 -1.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3808 -1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6714 1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7717 1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 0.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1361 -0.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6306 -2.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0306 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9782 -1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 0.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5857 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3217 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4594 -0.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2481 -2.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6481 -3.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 -1.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1432 -0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4831 -3.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4307 -2.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1597 -0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1006 -4.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0482 -3.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9356 -5.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8832 -4.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5531 -5.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5007 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 4.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3356 -5.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3881 -6.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2832 -4.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9532 -6.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7357 -5.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3533 -6.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9007 -4.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1358 -6.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6833 -4.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3008 -5.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7533 -6.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8483 -3.8713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0834 -4.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2308 -3.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2484 -4.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3958 -2.5159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4482 -3.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0309 -3.8959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6308 -3.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7783 -1.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8307 -3.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1959 -3.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7958 -2.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9957 -2.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9433 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5784 -2.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9785 -2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1783 -2.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3782 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7434 -1.7322 0.0000 O 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 3 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 2 0 0 0 0 22 30 1 0 0 0 0 23 31 2 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 25 34 1 0 0 0 0 26 35 1 0 0 0 0 26 36 1 0 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 39 44 1 0 0 0 0 41 45 1 0 0 0 0 41 46 1 0 0 0 0 43 47 1 0 0 0 0 44 48 1 0 0 0 0 45 49 1 0 0 0 0 46 50 1 0 0 0 0 47 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 48 54 1 0 0 0 0 49 55 1 0 0 0 0 49 56 1 0 0 0 0 50 57 1 0 0 0 0 51 58 1 0 0 0 0 55 59 1 0 0 0 0 58 60 1 0 0 0 0 59 61 1 0 0 0 0 60 62 2 0 0 0 0 60 63 1 0 0 0 0 61 64 1 0 0 0 0 61 65 1 0 0 0 0 64 66 1 0 0 0 0 65 67 1 0 0 0 0 66 68 1 0 0 0 0 66 69 1 0 0 0 0 67 70 1 0 0 0 0 68 71 1 0 0 0 0 70 72 1 0 0 0 0 71 73 1 0 0 0 0 72 74 1 0 0 0 0 72 75 1 0 0 0 0 73 76 1 0 0 0 0 73 77 1 0 0 0 0 74 78 1 0 0 0 0 75 79 1 0 0 0 0 76 80 1 0 0 0 0 77 81 1 0 0 0 0 78 82 1 0 0 0 0 78 83 1 0 0 0 0 80 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 88 1 0 0 0 0 5 7 1 0 0 0 0 15 20 1 0 0 0 0 24 31 1 0 0 0 0 29 36 1 0 0 0 0 33 38 1 0 0 0 0 48 51 1 0 0 0 0 50 55 1 0 0 0 0 67 68 1 0 0 0 0 79 82 1 0 0 0 0 81 84 1 0 0 0 0 M END > CHEBI:215213 > Saccharosacrin A > 2 > N-[6-[[(7E,11E)-17-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-23-hydroxy-8,10,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl]acetamide > C67H101NO20 > 1240.532 > 1239.69169 > 0 > O=C1OC23C(C=C(C(OC4OC(C(NC(=O)C)C(C4)(O)C)C)C(C)C=C(C5C(C(=C1C2=O)O)(C6C(C(OC7OC(C(OC8OC(C(OC9OC(C(O)C(C9)O)C)C(C8)OC%10OC(C(O)CC%10)C)C)C(C7)O)C)C(C)CC6C)C=C5)C)C)C)C=CC(C3)CC > InChI=1S/C67H101NO20/c1-15-41-16-17-42-24-34(6)57(87-53-29-65(13,77)61(39(11)82-53)68-40(12)69)32(4)22-30(2)44-19-18-43-55(66(44,14)62(74)54-63(75)67(42,28-41)88-64(54)76)31(3)23-33(5)58(43)84-51-26-47(72)59(37(9)80-51)85-52-27-48(83-49-21-20-45(70)35(7)78-49)60(38(10)81-52)86-50-25-46(71)56(73)36(8)79-50/h16-19,22,24,31-33,35-39,41-53,55-61,70-74,77H,15,20-21,23,25-29H2,1-14H3,(H,68,69)/b30-22+,34-24+,62-54? > WBJMUCNBAGLXQP-FBZSZBRHSA-N $$$$