Mrv1533004231522352D 38 40 0 0 0 0 999 V2000 6.8513 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5658 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9783 7.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1533 9.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2802 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2802 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0654 1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1154 1.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 4 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 2 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 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 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 19 29 1 0 0 0 0 23 29 1 0 0 0 0 22 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 17 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 15 37 1 0 0 0 0 37 38 1 0 0 0 0 M END > NP0265260 > NP-MRD > CC(=CCCC(C)(O)C=C)C(=O)OCC1OC(OC2OC=C(C3CCC(C)(O)C23)C(O)=O)C(O)C(O)C1O > InChI=1S/C26H38O12/c1-5-25(3,33)9-6-7-13(2)22(32)35-12-16-18(27)19(28)20(29)24(37-16)38-23-17-14(8-10-26(17,4)34)15(11-36-23)21(30)31/h5,7,11,14,16-20,23-24,27-29,33-34H,1,6,8-10,12H2,2-4H3,(H,30,31) > AXRQCSKKDBKXEL-UHFFFAOYSA-N > C26H38O12 > 542.578 > 542.236326664 > 11 > 76 > 56.109128768839895 > 0 > 6 > 0 > 0 > 7-hydroxy-7-methyl-1-[(3,4,5-trihydroxy-6-{[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]methyl}oxan-2-yl)oxy]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid > 0.17 > 0.6972996489999994 > -2.62 > 1 > 3 > -1 > 12.20690091401418 > 4.257303304369501 > -1.2850861566705918 > 192.43999999999997 > 130.9427 > 11 > 0 > 1.29e+00 g/l > 7-hydroxy-7-methyl-1-[(3,4,5-trihydroxy-6-{[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]methyl}oxan-2-yl)oxy]-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-4-carboxylic acid > 0 > NP0265260 > 7-hydroxy-7-methyl-1-[(3,4,5-trihydroxy-6-{[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]methyl}oxan-2-yl)oxy]-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid $$$$