Marvin 08121314352D 49 51 0 0 0 0 999 V2000 0.2357 0.6561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5076 0.2981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6911 -0.5062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1768 -1.1512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6482 -1.1512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1626 -0.5062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9790 0.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4492 -0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2357 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9502 1.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6647 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6647 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3791 1.8936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3791 2.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0936 1.4811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0936 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8081 1.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5225 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 1.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5225 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9515 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9515 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1526 0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0936 3.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0936 3.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8081 2.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5893 -1.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 -1.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1768 -2.5802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2316 -1.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -2.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0285 -1.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4347 -1.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4056 -0.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -1.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4001 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1201 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 -0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1201 0.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2635 -0.9187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9780 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2635 -1.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6924 -0.9187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4069 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1214 -0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6924 -1.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 7 1 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 8 1 6 0 0 0 4 8 1 6 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 19 18 2 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 2 24 1 1 0 0 0 14 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 4 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 5 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 5 34 1 6 0 0 0 3 35 1 6 0 0 0 6 36 1 6 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 35 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 1 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 46 49 1 1 0 0 0 M END > CHEBI:75170 > zaragozic acid A > A polyketide isolated from fungi that is a potent inhibitor of fungal and mammalian squalene synthase. > 3 > Squalestatin 1; 1S-((4S-acetoxy-5R-methyl-3-methylene-6-phenylhexyl)-6-(E)-4S,6S-dimethyloct-2-enoyloxy)-4,7S-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3S,4S,5R-tricarboxylic acid > C35H46O14 > 690.73130 > 690.28876 > 0 > CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@H](C(O)=O)[C@@](O)(C(O)=O)[C@@]1(O2)C(O)=O > InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1 > DFKDOZMCHOGOBR-NCSQYGPNSA-N > 142561-96-4 > 5848265 > 142561-96-4 > LMPK00000001 > ZGA > Zaragozic_acid > 10987953; 12391282; 1601846; 20722739; 21183681; 22474324; 23485731; 7811707; 8002393; 9083051; 9647670; 9730906 $$$$