Mrv1652307042107013D 111119 0 0 0 0 999 V2000 9.0714 -2.3407 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0888 -1.5026 -1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6570 -1.7343 -1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 -2.6668 -2.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9662 -0.7181 -0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -0.5204 -0.7578 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5818 -1.1459 -1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 -2.0388 -2.1968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1944 -0.6891 -0.9825 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2348 0.8146 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1753 -1.2724 -1.9316 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0721 -1.7321 -1.0599 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9964 -0.6452 -0.8399 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6298 -1.2188 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 -1.4893 1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9763 -1.1725 0.4881 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7716 -1.9254 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3422 -3.0585 -0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0901 -1.4752 -0.8456 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6039 -2.5334 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0 0 0 0 0 0 -0.4291 -1.4202 1.2779 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0307 -0.0726 1.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5839 -1.9776 0.3372 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9022 -1.2448 0.3706 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8184 0.0691 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0726 1.2464 0.6474 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2874 0.7546 1.3885 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2054 1.9244 1.6710 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5755 1.3320 1.4604 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9838 0.6555 2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5598 2.3717 1.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 3.5525 0.9507 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8799 2.0492 0.8292 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3891 0.3467 0.3388 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0136 -0.1925 0.5051 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2066 -0.2261 -0.7752 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6188 0.8866 -1.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -2.0370 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8892 -3.2667 -2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 1.1992 -1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2913 1.2711 -0.0441 H 0 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0 0 0 -11.7176 3.0813 -0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5710 -1.2540 1.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7927 0.3037 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7732 -0.0040 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6688 -0.7014 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7750 -0.9600 1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7270 -2.2439 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 -3.6332 3.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 -3.0384 3.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9408 0.3607 2.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 0.6532 1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6823 -0.2403 2.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 -3.0799 0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 -1.9986 0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 -0.4778 1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 1.3981 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2738 2.1023 0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9776 0.2513 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0651 2.7576 0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0275 2.2308 2.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7664 1.2839 3.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 0.5678 3.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3438 -0.3686 2.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4498 2.5519 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1718 -0.4556 0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5372 0.9152 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0803 -1.2249 0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8315 1.7917 -1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4809 0.4672 -2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 1.0304 -2.4448 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 9 7 1 6 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 17 1 1 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 29 33 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 15 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 2 3 0 0 0 39 41 1 0 0 0 0 41 42 1 1 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 5 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 6 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 49 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 6 0 0 0 56 2 1 0 0 0 0 44 9 1 0 0 0 0 56 45 1 0 0 0 0 43 12 1 0 0 0 0 55 47 1 0 0 0 0 41 14 1 0 0 0 0 36 19 1 0 0 0 0 35 22 1 0 0 0 0 33 24 1 0 0 0 0 1 58 1 0 0 0 0 1 59 1 0 0 0 0 10 60 1 0 0 0 0 10 61 1 0 0 0 0 10 62 1 0 0 0 0 11 63 1 0 0 0 0 11 64 1 0 0 0 0 12 65 1 6 0 0 0 13 66 1 0 0 0 0 13 67 1 0 0 0 0 20 68 1 0 0 0 0 20 69 1 0 0 0 0 20 70 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 73 1 6 0 0 0 23 74 1 0 0 0 0 23 75 1 0 0 0 0 24 76 1 1 0 0 0 28 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 86 1 6 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 43 94 1 1 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 47 99 1 1 0 0 0 48100 1 0 0 0 0 48101 1 0 0 0 0 50102 1 0 0 0 0 50103 1 0 0 0 0 50104 1 0 0 0 0 53105 1 0 0 0 0 54106 1 0 0 0 0 54107 1 0 0 0 0 55108 1 1 0 0 0 57109 1 0 0 0 0 57110 1 0 0 0 0 57111 1 0 0 0 0 M END > NP0014265 > NP-MRD > [H]OC(=O)[C@@]1(C([H])([H])[H])C([H])([H])[C@@]2([H])C([H])([H])C3=C(OC(=O)[C@@]4(C([H])([H])[H])C([H])([H])[C@]5([H])C([H])([H])C6=C(OC(=O)[C@]7(C([H])([H])[H])C([H])([H])[C@]8([H])C([H])([H])[C@@]9([H])C(=O)C(O[H])=C(C([H])([H])OC([H])([H])[H])[C@@]9(C([H])([H])[H])[C@]8([H])C7([H])[H])C(=O)C(=C([H])[H])[C@@]6(C([H])([H])[H])[C@]5([H])C4([H])[H])C(=O)C(=C([H])[H])[C@]3(C([H])([H])[H])[C@@]2([H])C1([H])[H] > InChI=1S/C46H54O11/c1-20-32(47)36(26-11-23-13-41(3,38(51)52)16-28(23)44(20,26)6)56-39(53)42(4)15-24-12-27-37(33(48)21(2)45(27,7)29(24)17-42)57-40(54)43(5)14-22-10-25-34(49)35(50)31(19-55-9)46(25,8)30(22)18-43/h22-25,28-30,50H,1-2,10-19H2,3-9H3,(H,51,52)/t22-,23+,24-,25-,28-,29+,30+,41-,42-,43+,44-,45+,46+/m0/s1 > GYUZZLDDLNZFON-UHFFFAOYSA-N > C46H54O11 > 782.927 > 782.366612559 > 9 > 111 > 86.25932618387061 > 0 > 2 > 0 > 0 > (1R,2S,4S,6R)-9-[(1S,2R,4S,6S)-9-[(1S,2R,4R,6S,8R)-10-hydroxy-11-(methoxymethyl)-1,4-dimethyl-9-oxotricyclo[6.3.0.0^{2,6}]undec-10-ene-4-carbonyloxy]-1,4-dimethyl-11-methylidene-10-oxotricyclo[6.3.0.0^{2,6}]undec-8-ene-4-carbonyloxy]-1,4-dimethyl-11-methylidene-10-oxotricyclo[6.3.0.0^{2,6}]undec-8-ene-4-carboxylic acid > 4.77 > 6.0794052306666675 > -6.18 > 1 > 9 > -1 > 8.433323266519684 > 4.072725862032653 > -4.039532684439515 > 170.57 > 209.21730000000005 > 9 > 0 > 5.19e-04 g/l > (1R,2S,4S,6R)-9-[(1S,2R,4S,6S)-9-[(1S,2R,4R,6S,8R)-10-hydroxy-11-(methoxymethyl)-1,4-dimethyl-9-oxotricyclo[6.3.0.0^{2,6}]undec-10-ene-4-carbonyloxy]-1,4-dimethyl-11-methylidene-10-oxotricyclo[6.3.0.0^{2,6}]undec-8-ene-4-carbonyloxy]-1,4-dimethyl-11-methylidene-10-oxotricyclo[6.3.0.0^{2,6}]undec-8-ene-4-carboxylic acid > 0 > NP0014265 > Sterhirsutin H $$$$