Mrv0541 08291401102D 71 78 0 0 1 0 999 V2000 8.0152 6.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5739 6.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4102 8.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 6.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 5.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8117 7.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3559 6.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5967 6.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 6.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 6.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 7.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3510 4.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5118 5.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3192 7.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 8.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0893 8.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 5.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2885 5.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9713 4.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0524 6.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9058 6.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5852 7.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7088 5.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 7.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2107 6.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8915 5.9840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4463 7.9077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9678 6.3425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6869 6.8199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1739 7.1413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2854 7.0985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8478 7.6290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4320 7.3371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6600 7.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 7.8555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7903 7.4984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0885 6.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4900 6.2626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8208 6.2903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2493 7.3504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7994 7.0566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5842 6.6996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6508 7.0718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.7525 4.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5929 8.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3168 5.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1103 5.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 8.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 7.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3073 6.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 8.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 6.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5525 6.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0305 7.6157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0374 5.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9025 5.6761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7376 7.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2193 8.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7306 5.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6475 7.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 6.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4681 7.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 6.9205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0666 7.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0087 8.4382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2712 6.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4307 6.8052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4024 7.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0045 7.2775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9276 5.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3291 5.4535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 2 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 16 15 1 0 0 0 0 18 17 2 0 0 0 0 19 12 1 0 0 0 0 26 13 1 1 0 0 0 26 20 1 0 0 0 0 27 15 1 0 0 0 0 28 17 1 0 0 0 0 29 21 1 0 0 0 0 30 22 1 0 0 0 0 30 28 1 0 0 0 0 31 21 1 0 0 0 0 31 27 1 0 0 0 0 32 24 1 0 0 0 0 32 29 1 0 0 0 0 33 20 1 0 0 0 0 34 14 1 0 0 0 0 35 16 1 0 0 0 0 36 22 1 0 0 0 0 37 23 1 0 0 0 0 38 23 1 0 0 0 0 39 2 1 6 0 0 0 39 18 1 0 0 0 0 39 34 1 0 0 0 0 40 3 1 1 0 0 0 40 24 1 0 0 0 0 40 37 1 0 0 0 0 41 4 1 6 0 0 0 41 25 1 0 0 0 0 41 35 1 0 0 0 0 42 5 1 6 0 0 0 42 25 1 0 0 0 0 42 36 1 0 0 0 0 43 6 1 1 0 0 0 43 33 1 0 0 0 0 43 38 1 0 0 0 0 44 19 1 0 0 0 0 33 45 1 1 0 0 0 39 46 1 1 0 0 0 47 26 1 0 0 0 0 47 38 1 0 0 0 0 48 27 1 0 0 0 0 48 32 1 0 0 0 0 49 30 1 0 0 0 0 49 34 1 0 0 0 0 50 29 1 0 0 0 0 50 37 1 0 0 0 0 51 35 1 0 0 0 0 51 36 1 0 0 0 0 52 28 1 0 0 0 0 52 42 1 0 0 0 0 53 31 1 0 0 0 0 53 41 1 0 0 0 0 54 40 1 0 0 0 0 54 43 1 0 0 0 0 55 9 1 0 0 0 0 56 10 1 0 0 0 0 57 11 1 0 0 0 0 58 14 1 0 0 0 0 26 59 1 6 0 0 0 27 60 1 1 0 0 0 28 61 1 6 0 0 0 29 62 1 6 0 0 0 30 63 1 1 0 0 0 31 64 1 6 0 0 0 32 65 1 1 0 0 0 33 66 1 1 0 0 0 67 34 1 0 0 0 0 35 68 1 1 0 0 0 36 69 1 1 0 0 0 37 70 1 6 0 0 0 38 71 1 6 0 0 0 M END > CHEM003067 > chemdb > [H]\C(CC=C)=C(/[H])\C(\[H])=C(\[H])C1([H])O[C@@]2([H])C[C@@]3([H])O[C@@]4([H])CC[C@@]5([H])O[C@@]6([H])C[C@@]7(C)O[C@@]8(C)[C@@]([H])(O)C[C@]([H])(CCCO)O[C@]8([H])C[C@]7([H])O[C@]6([H])C[C@]5([H])O[C@]4(C)C[C@]3(C)O[C@]2([H])C=C[C@]1(C)O > InChI=1S/C43H64O11/c1-7-8-9-10-11-14-34-39(2,46)18-17-28-30(49-34)22-36-42(5,52-28)25-41(4)35(51-36)16-15-27-31(53-41)21-29-32(48-27)24-40(3)37(50-29)23-38-43(6,54-40)33(45)20-26(47-38)13-12-19-44/h7,9-11,14,17-18,26-38,44-46H,1,8,12-13,15-16,19-25H2,2-6H3/b10-9-,14-11-/t26-,27+,28+,29+,30-,31-,32-,33-,34?,35-,36+,37-,38+,39-,40+,41+,42-,43-/m0/s1 > GKLILONDTZZKRF-DOZYUNSMSA-N > C43H64O11 > 756.9617 > 756.44486289 > 11 > 118 > 87.67330041710153 > 0 > 3 > 0 > 0 > (1S,3R,5S,7R,10S,13S,15R,17S,20R,22S,24R,26S,27S,29S,31R,33S,35R)-11-[(1Z,3Z)-hepta-1,3,6-trien-1-yl]-29-(3-hydroxypropyl)-3,5,10,24,26-pentamethyl-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.0³,¹⁷.0⁵,¹⁵.0⁷,¹³.0²²,³⁵.0²⁴,³³.0²⁶,³¹]hexatriacont-8-ene-10,27-diol > 3.74 > 3.1037746579999985 > -5.76 > 1 > 8 > 0 > 14.033022004054637 > 13.40290436766507 > -2.374425578056224 > 134.53000000000003 > 203.62839999999994 > 7 > 0 > 1.33e-03 g/l > (1S,3R,5S,7R,10S,13S,15R,17S,20R,22S,24R,26S,27S,29S,31R,33S,35R)-11-[(1Z,3Z)-hepta-1,3,6-trien-1-yl]-29-(3-hydroxypropyl)-3,5,10,24,26-pentamethyl-2,6,12,16,21,25,30,34-octaoxaoctacyclo[18.16.0.0³,¹⁷.0⁵,¹⁵.0⁷,¹³.0²²,³⁵.0²⁴,³³.0²⁶,³¹]hexatriacont-8-ene-10,27-diol > 0 > T3D4107 > Gambierol > 146763-62-4 > Organic Compound; Ether; Marine Toxin; Animal Toxin; Natural Compound; Human Neurotoxin; PFAS $$$$