Mrv1652306242117183D 60 61 0 0 0 0 999 V2000 -7.4190 0.3483 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4970 0.1633 0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8637 0.5333 2.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9840 1.0025 2.3155 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9285 0.3537 3.0347 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1559 -0.3973 0.3451 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0623 -1.5897 1.1031 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1059 0.5823 0.7105 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8757 0.5257 -0.1661 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3247 -0.9022 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3173 0.7925 -1.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4122 0.1837 -1.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1758 -0.7312 -1.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7636 -1.6822 -1.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 1.7019 -2.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3587 2.1825 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7755 1.7962 -0.7400 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1532 0.7826 -0.9782 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5275 0.9422 -0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8198 2.0610 -0.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 -0.1582 -0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5768 -0.5395 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8705 -0.1375 -0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9138 -0.9743 -0.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2719 -0.5544 -0.3592 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2960 0.8379 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -1.5017 0.7038 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8265 -2.9355 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7898 1.4290 0.3080 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0120 0.7418 1.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3921 0.7508 -0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2396 0.1028 -1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7823 -0.6052 3.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9767 -2.0179 1.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8243 0.4448 1.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5221 1.6139 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3635 -0.9930 -0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0001 -1.6566 -0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2012 -1.1070 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7272 0.3843 -2.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9994 1.9781 -3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 2.8552 -2.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 2.6729 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8036 -1.0742 -1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5739 -1.6281 -1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1694 0.8205 -0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7316 -1.9473 -1.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9536 -0.5570 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3330 1.0938 0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6842 0.8699 1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0228 1.5833 -0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7053 -1.1774 1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9838 -1.4832 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1141 -3.0479 -0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6264 -3.4330 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8867 -3.4811 0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2506 2.3256 0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4299 -0.0647 0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 0.4568 2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 1.4647 1.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 11 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 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 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 17 29 1 0 0 0 0 29 30 1 0 0 0 0 13 6 1 0 0 0 0 29 9 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 5 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 12 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 1 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 6 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 1 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 M END > NP0015282 > NP-MRD > [H]OC(=O)C(=C([H])[H])[C@@]1(O[H])C(=O)C([H])=C2C([H])=C([H])[C@]([H])(OC(=O)C(\[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]2(C([H])([H])[H])C1([H])[H] > InChI=1S/C24H30O6/c1-6-15(2)9-7-8-10-21(26)30-19-12-11-18-13-20(25)24(29,17(4)22(27)28)14-23(18,5)16(19)3/h7-13,15-16,19,29H,4,6,14H2,1-3,5H3,(H,27,28)/b9-7+,10-8-/t15-,16-,19-,23+,24+/m0/s1 > UAMUYXWJNMHHRV-PSVRVQPJSA-N > C24H30O6 > 414.498 > 414.204238686 > 5 > 60 > 45.78005540032734 > 1 > 2 > 0 > 1 > 2-[(2R,7S,8R,8aR)-2-hydroxy-8,8a-dimethyl-7-{[(2Z,4E,6S)-6-methylocta-2,4-dienoyl]oxy}-3-oxo-1,2,3,7,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid > 4.31 > 4.406051322000001 > -5.04 > 0 > 2 > -1 > 12.535870712790654 > 4.134468768331929 > -4.0275841743668765 > 100.9 > 117.3106 > 8 > 1 > 3.77e-03 g/l > 2-[(2R,7S,8R,8aR)-2-hydroxy-8,8a-dimethyl-7-{[(2Z,4E,6S)-6-methylocta-2,4-dienoyl]oxy}-3-oxo-7,8-dihydro-1H-naphthalen-2-yl]prop-2-enoic acid > 0 > NP0015282 > Chaetopenoid A $$$$