Mrv0541 11061312122D 51 51 0 0 0 0 999 V2000 -0.0833 -11.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7958 -11.6583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0958 -10.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8208 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 -11.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5292 -10.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3333 -8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -9.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -9.9792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6125 -9.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -9.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -7.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0458 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 -10.3917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4750 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -11.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -12.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3333 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -11.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -10.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -7.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 -11.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -10.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -11.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7625 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6208 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6208 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3333 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3333 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4792 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3333 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 12 1 0 0 0 0 3 10 1 1 0 0 0 11 7 2 0 0 0 0 12 10 1 0 0 0 0 13 7 1 0 0 0 0 14 13 1 0 0 0 0 15 9 1 0 0 0 0 16 15 1 0 0 0 0 17 20 2 0 0 0 0 1 18 1 6 0 0 0 2 19 1 1 0 0 0 20 29 1 0 0 0 0 21 14 2 0 0 0 0 22 16 2 0 0 0 0 5 23 1 6 0 0 0 6 24 1 1 0 0 0 13 25 1 6 0 0 0 15 26 1 1 0 0 0 27 24 1 0 0 0 0 28 17 1 0 0 0 0 29 30 1 0 0 0 0 30 22 1 0 0 0 0 31 21 1 0 0 0 0 32 17 1 0 0 0 0 33 28 1 0 0 0 0 34 31 1 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 37 47 1 0 0 0 0 38 44 1 0 0 0 0 39 49 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 34 1 0 0 0 0 46 45 1 0 0 0 0 47 33 1 0 0 0 0 48 46 1 0 0 0 0 49 48 1 0 0 0 0 50 35 1 0 0 0 0 51 36 1 0 0 0 0 4 6 1 0 0 0 0 M END > CHEBI:68070 > chrysogeside B > A glucosylceramide isolated from Penicillium chrysogenum. > 3 > (2R,3E)-N-[(2S,3R,4E,8E)-1-(beta-D-glucopyranosyloxy)-3-hydroxy-9-methylpentadeca-4,8-dien-2-yl]-2-hydroxynonadec-3-enamide > C41H75NO9 > 726.03550 > 725.54418 > 0 > CCCCCCCCCCCCCCC\C=C\[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CC\C=C(/C)CCCCCC > InChI=1S/C41H75NO9/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-9-7-5-2/h24-25,27-29,33-39,41,43-48H,4-23,26,30-31H2,1-3H3,(H,42,49)/b28-25+,29-24+,32-27+/t33-,34+,35+,36+,37+,38-,39+,41+/m0/s1 > ZVSKJEHFCITPQT-XCEJTAPFSA-N > 21559830 > 21381678 $$$$