LMST05020056 LIPID_MAPS_STRUCTURE_DATABASE 40 44 0 0 0 999 V2000 3.6706 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 -6.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 -7.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6706 -8.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 -7.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 -6.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4006 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2655 -6.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2655 -7.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4006 -8.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4005 -5.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2654 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1306 -5.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1306 -6.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9956 -4.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8606 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8607 -6.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9956 -3.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8605 -3.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1305 -3.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7255 -3.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5904 -3.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4555 -3.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3204 -3.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4555 -4.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7256 -4.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 -5.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9407 -8.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6706 -9.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5356 -8.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5904 -2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1306 -4.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4006 -6.7668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1645 -6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2655 -5.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0756 -8.5148 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -9.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 -7.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2049 -9.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5678 -6.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 3 1 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 8 1 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 17 1 0 0 0 15 18 1 1 0 0 18 19 1 0 0 0 18 20 1 6 0 0 19 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 21 26 1 6 0 0 2 27 1 1 0 0 5 28 1 1 0 0 4 29 1 1 0 0 3 30 1 1 0 0 10 30 1 1 0 0 22 31 2 0 0 0 13 32 1 1 0 0 7 33 1 6 0 0 14 34 1 6 0 0 8 35 1 1 0 0 28 36 1 0 0 0 36 37 2 0 0 0 36 38 2 0 0 0 36 39 1 0 0 0 17 40 1 1 0 0 M END > LMST05020056 > Gracilosulfate E > 4beta,15beta,23R-trihydroxy,5beta,6beta-epoxy-24-methylenecholest-3beta-yl sulfate > C28H46O8S > 542.29 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > > - > - > - > - > - > - > - > - > - > - > - > - > Active > Gracilosulfates A-G, Monosulfated Polyoxygenated Steroids from the Marine Sponge Haliclona gracilis. Mar Drugs, 2020 DOI: 10.3390/md18090454 PMID: 32872590 > https://lipidmaps.org/data/LMSDRecord.php?LMID=LMST05020056 $$$$