CDK 1029232203 75 76 0 0 0 0 0 0 0 0999 V2000 7.2124 -1.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0276 -1.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2288 -1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9768 -2.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0782 -3.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0503 0.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3283 -4.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6426 0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4238 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7186 -5.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3303 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2358 -5.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0901 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8623 -6.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6435 -6.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8959 1.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3857 -6.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5768 -6.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7206 1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7946 2.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3549 -6.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7713 2.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5358 1.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1537 -7.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1702 -7.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3139 1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9948 -7.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1193 -7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6588 2.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0284 1.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0961 -7.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8007 -6.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6549 0.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5604 -6.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2472 1.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1721 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2482 -6.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5624 -0.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 7.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8404 -5.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7654 -6.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3221 -0.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8125 -1.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4669 -6.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3170 -4.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9806 -1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0585 -2.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8393 -4.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8792 -1.8996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7403 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5412 -3.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8736 -2.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1815 -4.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6545 -4.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3987 -1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1717 -3.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7024 -5.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9525 -4.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2973 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1584 -0.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9869 -3.6633 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 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 35 40 1 0 0 0 0 36 41 1 0 0 0 0 37 42 1 0 0 0 0 37 43 1 0 0 0 0 40 44 1 0 0 0 0 41 45 1 0 0 0 0 43 46 1 0 0 0 0 44 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 48 51 1 0 0 0 0 49 52 2 0 0 0 0 49 53 1 0 0 0 0 50 54 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 51 57 1 0 0 0 0 54 58 1 0 0 0 0 54 59 1 0 0 0 0 56 60 1 0 0 0 0 57 61 1 0 0 0 0 59 62 1 0 0 0 0 60 63 2 0 0 0 0 60 64 1 0 0 0 0 61 65 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 62 68 1 0 0 0 0 64 69 1 0 0 0 0 66 70 1 0 0 0 0 67 71 1 0 0 0 0 68 72 1 0 0 0 0 69 73 2 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 62 65 1 0 0 0 0 68 70 1 0 0 0 0 M END > CHEBI:205310 > Kanchanamycin D > 2 > 3-[[(10E,12E,18E,20E)-15-[(E)-10-(carbamoylamino)dec-6-en-2-yl]-5,7,9,23,25,27,31,34,35-nonahydroxy-33-methoxy-10,14,22,26,30-pentamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid > C55H92N2O18 > 1069.337 > 1068.63451 > 0 > O=C1OC(C(C=CC=C(C(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC=C1)C)O)O)C)O)C)O)(OC)C(O)C(C2)O)C)C)C(CCC/C=C/CCCNC(=O)N)C > InChI=1S/C55H92N2O18/c1-33-17-13-14-21-50(68)74-52(36(4)18-12-10-8-9-11-15-24-57-54(56)71)37(5)20-16-19-34(2)44(61)27-40(59)25-39(58)26-41(73-51(69)31-49(66)67)28-42-29-47(64)53(70)55(72-7,75-42)32-48(65)35(3)22-23-43(60)38(6)46(63)30-45(33)62/h8-9,13-14,16-17,19-21,33,35-48,52-53,58-65,70H,10-12,15,18,22-32H2,1-7H3,(H,66,67)(H3,56,57,71)/b9-8+,17-13-,20-16-,21-14-,34-19- > OSYCGXNFXHMGMC-QWUNRXCDSA-N $$$$