NP0003708 Mrv2104 05272322553D 63 63 0 0 0 0 999 V2000 6.1811 -0.1640 -0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6811 0.0326 -0.4432 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1681 -0.6172 0.8528 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4254 -2.1210 0.9983 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9065 -3.0055 -0.1396 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4148 -2.9568 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6007 -3.9782 -0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1709 -4.0143 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 -2.9609 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1437 -3.0323 -0.3399 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4414 -2.2986 -1.5184 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8871 -2.4596 0.8699 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4177 -2.4132 0.7370 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9380 -2.1385 2.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0101 -1.3939 -0.2631 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3507 -0.0437 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8168 1.0518 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 2.2667 0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5258 2.8800 -0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5242 4.0031 -0.6394 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2287 5.2352 -0.7701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 4.0489 0.5861 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2092 4.5497 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8305 3.7160 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 4.1540 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2199 3.3715 -0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2119 1.8935 -0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 1.1947 -0.9165 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4716 1.4618 -0.3794 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5244 0.3984 -1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7437 0.2192 0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4401 -1.2157 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1593 -0.3695 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -0.4269 0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6219 -0.1023 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5036 -2.2911 1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9767 -2.4548 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2247 -4.0368 0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3815 -2.7285 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0099 -2.0445 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0238 -4.8955 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -5.0020 -0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 -1.9745 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 -4.0662 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7531 -2.5128 -2.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6355 -3.0636 1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5166 -1.4538 1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 -3.4124 0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9056 -2.0828 1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9304 -1.7890 -1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0836 -1.2752 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3912 0.0040 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7409 1.0222 0.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 2.6342 1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7707 2.4965 -1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9204 3.8850 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9946 5.1897 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 4.7020 1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 3.0505 1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 5.6230 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6663 2.6469 0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3262 5.2313 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 3.8331 -0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 M END > NP0003708 > NP-MRD > [H]O[C@]1([H])\C([H])=C(/[H])\C(\[H])=C([H])\C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])\C([H])=C(/[H])\C(\[H])=C([H])\C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C(\[H])/C(/[H])=C([H])/C1([H])[H])C([H])([H])[H] > InChI=1/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5+,14-9+,16-8+,18-12-/t20-,21+,22-,23-/s2 > XXDIJWSZFWZBRM-CMQZVCBLNA-N > C24H34O5 > 402.531 > 402.240624195 > 4 > 63 > 46.45984477673443 > 1 > 3 > 0 > 1 > (3Z,5E,8S,9E,11E,14S,16R,17E,19E,24S)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one > 3.5133448379999987 > 0 > 1 > 0 > 15.386664363309029 > 14.629219062823093 > -1.5775923958996727 > 86.99 > 123.47909999999999 > 0 > 1 > (3Z,5E,8S,9E,11E,14S,16R,17E,19E,24S)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one > 0 > NP0003708 > Macrolactin I $$$$