Mrv0541 09111411572D 72 78 0 0 1 0 999 V2000 7.1202 -7.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3900 2.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9499 -5.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9277 -4.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1313 -1.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3865 1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4662 -1.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6946 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9886 -5.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8786 0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7879 -4.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7907 -5.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5348 0.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2519 -2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 -3.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8189 2.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5325 2.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2749 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5731 -2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6893 -6.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5065 -5.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0323 -6.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1036 2.4102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2322 -5.3337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2100 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3579 -1.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1019 1.5852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9303 -1.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1058 -1.7982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8379 -3.2617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1597 0.3374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0324 -1.8979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3678 -4.1050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4039 -5.1834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1048 -3.2788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1995 -5.5794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2838 0.5404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6230 -0.3081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5088 -4.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9498 -0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6768 -3.3666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7142 -5.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8154 1.1712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6209 0.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9018 0.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7590 -0.8003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1945 -4.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3444 0.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5308 1.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2213 -2.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -2.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1692 -4.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7758 -0.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9184 -5.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7918 -4.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4817 1.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3421 1.0793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3883 1.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9393 -4.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8172 1.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3064 -1.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0135 -3.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6985 -0.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8503 -1.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -3.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 -4.6559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9237 -3.3790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 -6.0448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -0.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3441 -0.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2952 -3.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 -2.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 15 14 1 0 0 0 0 17 16 1 0 0 0 0 22 1 2 0 0 0 0 22 18 1 0 0 0 0 22 20 1 0 0 0 0 23 2 1 6 0 0 0 23 16 1 0 0 0 0 24 3 1 1 0 0 0 24 21 1 0 0 0 0 25 4 2 0 0 0 0 25 24 1 0 0 0 0 26 5 2 0 0 0 0 27 6 1 6 0 0 0 27 23 1 0 0 0 0 28 7 2 0 0 0 0 29 19 1 0 0 0 0 29 28 1 0 0 0 0 30 19 1 0 0 0 0 31 10 1 0 0 0 0 32 14 1 0 0 0 0 32 26 1 0 0 0 0 33 11 1 0 0 0 0 34 12 1 0 0 0 0 35 15 1 0 0 0 0 35 33 1 0 0 0 0 36 18 1 0 0 0 0 36 34 1 0 0 0 0 37 13 1 0 0 0 0 38 26 1 0 0 0 0 38 31 1 0 0 0 0 39 25 1 0 0 0 0 39 30 1 0 0 0 0 40 29 1 0 0 0 0 41 30 1 0 0 0 0 42 20 1 0 0 0 0 42 21 1 0 0 0 0 43 27 1 0 0 0 0 37 43 1 6 0 0 0 31 44 1 6 0 0 0 38 45 1 6 0 0 0 46 40 2 0 0 0 0 41 47 1 1 0 0 0 43 48 1 1 0 0 0 49 17 1 0 0 0 0 49 43 1 0 0 0 0 50 28 1 0 0 0 0 50 41 1 0 0 0 0 51 32 1 0 0 0 0 51 35 1 0 0 0 0 52 33 1 0 0 0 0 52 34 1 0 0 0 0 53 37 1 0 0 0 0 53 40 1 0 0 0 0 54 36 1 0 0 0 0 54 42 1 0 0 0 0 55 39 1 0 0 0 0 55 42 1 0 0 0 0 56 8 1 0 0 0 0 57 13 1 0 0 0 0 23 58 1 1 0 0 0 24 59 1 6 0 0 0 27 60 1 6 0 0 0 29 61 1 6 0 0 0 30 62 1 6 0 0 0 31 63 1 6 0 0 0 32 64 1 6 0 0 0 33 65 1 1 0 0 0 34 66 1 1 0 0 0 35 67 1 1 0 0 0 36 68 1 6 0 0 0 37 69 1 6 0 0 0 38 70 1 6 0 0 0 39 71 1 6 0 0 0 41 72 1 1 0 0 0 M END > CHEM003347 > chemdb > [H]\C1=C([H])\[C@]([H])(OC(=O)[C@]2([H])C[C@@]([H])([C@@]([H])(O)OC2=C)[C@]2([H])OC3(CC(=C)C[C@]([H])(O3)[C@]3([H])CC=C[C@@]([H])(O3)[C@]3([H])CC[C@]([H])(O3)C(=C)[C@@]([H])(O)[C@@]([H])(O)C1)C[C@]([H])(C)C2=C)[C@@]1(O)OCC[C@@]([H])(C)[C@]1([H])C > InChI=1S/C43H60O12/c1-22-18-36-34-12-9-11-33(52-34)35-15-14-32(51-35)26(5)38(45)31(44)10-8-13-37(43(48)27(6)23(2)16-17-49-43)53-40(46)29-19-30(41(47)50-28(29)7)39-25(4)24(3)21-42(20-22,54-36)55-39/h8-9,11,13,23-24,27,29-39,41,44-45,47-48H,1,4-5,7,10,12,14-21H2,2-3,6H3/b13-8-/t23-,24+,27+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38-,39-,41+,42?,43+/m1/s1 > CUZZOTHBRFDPNJ-VEEMWHMWSA-N > C43H60O12 > 768.9293 > 768.408477384 > 11 > 115 > 82.03742600921194 > 0 > 4 > 0 > 0 > (5S,6S,10R,11S,14S,16R,17S,19Z,21S,24R,27S,28R,29S,31S)-16,17,27-trihydroxy-21-[(2S,3S,4R)-2-hydroxy-3,4-dimethyloxan-2-yl]-31-methyl-3,15,25,30-tetramethylidene-22,26,33,35,36,37-hexaoxahexacyclo[27.3.1.1¹,⁵.1⁶,¹⁰.1¹¹,¹⁴.1²⁴,²⁸]heptatriaconta-8,19-dien-23-one > 2.75 > 4.505111315666667 > -3.88 > 0 > 7 > 0 > 12.033276530390294 > 10.826601566181916 > -3.2014993951384083 > 162.6 > 203.8674 > 1 > 0 > 1.00e-01 g/l > (5S,6S,10R,11S,14S,16R,17S,19Z,21S,24R,27S,28R,29S,31S)-16,17,27-trihydroxy-21-[(2S,3S,4R)-2-hydroxy-3,4-dimethyloxan-2-yl]-31-methyl-3,15,25,30-tetramethylidene-22,26,33,35,36,37-hexaoxahexacyclo[27.3.1.1¹,⁵.1⁶,¹⁰.1¹¹,¹⁴.1²⁴,²⁸]heptatriaconta-8,19-dien-23-one > 0 > T3D4387 > Goniodomin A > 112923-40-7 > Organic Compound; Ether; Ester; Marine Toxin; Animal Toxin; Natural Compound; PFAS $$$$