Ketcher 11081616232D 1 1.00000 0.00000 0 44 48 0 1 0 999 V2000 11.7792 -2.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6411 -1.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5027 -2.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6411 -0.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5027 -3.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3644 -1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2264 -2.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3647 -0.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2262 -3.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9176 -1.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0557 -2.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1941 -1.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0557 -3.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 -3.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -4.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -5.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0073 -5.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8692 -5.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8692 -2.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0073 -2.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 -4.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8692 -4.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 -5.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 -6.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0073 -3.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0073 -4.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7309 -1.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4544 -1.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7996 -1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7892 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5925 -2.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4544 -2.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7309 -2.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7309 -3.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5925 -4.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4544 -3.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 -3.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8692 -3.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5925 -3.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7309 -4.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7812 -6.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 -5.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8464 -6.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6939 -1.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 1 0 0 3 5 1 6 0 0 3 6 1 0 0 0 6 7 1 0 0 0 6 8 1 1 0 0 7 9 1 0 0 0 1 10 1 0 0 0 10 11 1 0 0 0 12 11 1 0 0 0 11 13 1 1 0 0 14 15 1 0 0 0 14 21 1 0 0 0 15 16 1 0 0 0 16 42 1 0 0 0 42 23 1 0 0 0 25 21 1 0 0 0 21 23 1 0 0 0 23 17 1 0 0 0 17 18 1 0 0 0 18 22 1 0 0 0 22 34 1 0 0 0 25 22 1 0 0 0 20 25 1 0 0 0 19 20 1 0 0 0 19 33 1 0 0 0 23 24 1 6 0 0 25 26 1 6 0 0 33 27 1 1 0 0 32 28 1 1 0 0 31 29 1 0 0 0 29 30 1 0 0 0 12 30 1 0 0 0 32 12 1 0 0 0 33 34 1 0 0 0 31 33 1 0 0 0 31 32 1 0 0 0 34 35 1 0 0 0 36 32 1 0 0 0 35 36 1 0 0 0 21 37 1 1 0 0 34 40 1 6 0 0 31 39 1 6 0 0 22 38 1 1 0 0 42 41 1 0 0 0 42 43 1 0 0 0 12 44 1 1 0 0 M END > CHEBI:132468 > bacteriohopane-32,33,34,35-tetrol > A hopanoid that is bacteriohopane carrying four hydroxy substituents at positions 32, 33, 34 and 35. > 3 > Tetrahydroxybacteriohopane; Bacteriohopanetetrol; 32,33,34,35-bacteriohopanetetrol; (32R,33R,34S)-32,33,34,35-bacteriohopanetetrol > (2S,3S,4R,7R)-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octane-1,2,3,4-tetrol > C35H62O4 > 546.866 > 546.46481 > 0 > C([C@H]([C@@H](O)[C@H](CO)O)O)C[C@H]([C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@]5(CCCC([C@@]5(CC[C@]4([C@@]3(CC[C@@]12[H])C)C)[H])(C)C)C)[H])[H])C)[H])C > InChI=1S/C35H62O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-39H,8-21H2,1-7H3/t22-,23-,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35-/m1/s1 > JMKBTQYGOKJMBJ-ZQPPIKFSSA-N > 8603395 > C21119 > LMPR04000004 > CPD-14519 > 14673828; 15997292; 19222571; 22221333; 23413216; 23907221; 24299489; 24888970; 25155017; 25658680; 25667398; 25918793; 25935452; 26032177; 26276476; 26723637; 2817371; 7550109; 9134748 $$$$