Marvin 04201016512D 41 41 0 0 1 0 999 V2000 9.1227 -5.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8372 -5.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -4.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 -4.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -4.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -4.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8359 -4.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 -4.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2649 -4.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9793 -4.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6938 -4.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4083 -4.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1227 -4.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 -4.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 -3.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -2.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 -3.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -2.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -3.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8359 -2.8557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5504 -3.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2649 -2.8557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8359 -2.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9793 -3.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2649 -2.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6938 -2.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4083 -3.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1227 -2.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8372 -3.2682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5517 -2.8557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8372 -4.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2662 -3.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5517 -2.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9805 -2.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2662 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5517 -5.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8372 -6.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5517 -6.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2661 -6.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2661 -5.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9806 -6.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 3 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 1 6 0 0 0 22 24 1 0 0 0 0 22 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 6 0 0 0 30 32 1 0 0 0 0 30 33 1 1 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 36 2 2 0 0 0 0 2 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 36 40 1 0 0 0 0 39 41 1 0 0 0 0 M END > CHEBI:59237 > phenolic phthiocerol > A lipid derived from phthiocerol, having a 4-hydroxyphenyl substituent at the 29-position. > 3 > (3S,4R,9R,11S)-29-(4-hydroxyphenyl)-3-methoxy-4-methylnonacosane-9,11-diol > C37H68O4 > 576.93340 > 576.51176 > 0 > CC[C@H](OC)[C@H](C)CCCC[C@@H](O)C[C@@H](O)CCCCCCCCCCCCCCCCCCc1ccc(O)cc1 > InChI=1S/C37H68O4/c1-4-37(41-3)32(2)23-21-22-26-36(40)31-35(39)25-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-33-27-29-34(38)30-28-33/h27-30,32,35-40H,4-26,31H2,1-3H3/t32-,35+,36-,37+/m1/s1 > GDIGGEUWHKJEEK-IIVMXCGDSA-N > 6193065 $$$$