Mrv1652309092212472D 38 44 0 0 1 0 999 V2000 0.0885 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1068 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6433 -0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 0.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6114 -1.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 -1.5281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5231 -0.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 -0.2305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2520 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6299 -0.6266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4690 -1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9713 -1.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2499 -0.4229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5931 0.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 -1.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6423 -1.6939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2163 -2.3797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6016 -3.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0753 -2.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6851 -1.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7111 -1.0375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1387 -0.4435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3669 0.3493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7944 0.9434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1676 0.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7401 -0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5408 0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1132 -0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8850 -1.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0843 -1.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8561 -2.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5118 -0.8388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2836 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -3.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -3.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9776 -2.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8611 -2.0415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1547 -2.4677 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 16 15 1 6 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 13 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 26 32 1 0 0 0 0 21 32 1 0 0 0 0 32 33 1 1 0 0 0 17 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 6 37 1 0 0 0 0 16 37 1 0 0 0 0 37 38 1 6 0 0 0 M END > NP0283498 > NP-MRD > C[C@@]12OC(=O)[C@]3(O)CC[C@H]4[C@@H]([C@H](O)C=C5CC=CC(=O)[C@]45C)[C@]4(O)O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)C1=C > InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26+,27-,28-/m0/s1 > VELDODQHYQSJOF-TXCXDEBGSA-N > C28H30O10 > 526.538 > 526.183897166 > 8 > 68 > 51.953019174948345 > 1 > 3 > 0 > 0 > (1S,2S,3R,5S,6S,7R,14R,15S,18S,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.1^{2,5}.0^{3,18}.0^{3,21}.0^{6,15}.0^{9,14}]heptacosa-8,11-diene-13,19,24,27-tetrone > 1.8759108653333332 > 0 > 7 > 0 > 10.71916723703053 > 8.218031757629674 > -3.0757577604135298 > 156.66 > 128.39509999999999 > 0 > 0 > (1S,2S,3R,5S,6S,7R,14R,15S,18S,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.1^{2,5}.0^{3,18}.0^{3,21}.0^{6,15}.0^{9,14}]heptacosa-8,11-diene-13,19,24,27-tetrone > 0 > NP0283498 > (1s,2s,3r,5s,6s,7r,14r,15s,18s,21s,22r)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.1²,⁵.0³,¹⁸.0³,²¹.0⁶,¹⁵.0⁹,¹⁴]heptacosa-8,11-diene-13,19,24,27-tetrone $$$$