Mrv1652309032206282D 45 47 0 0 1 0 999 V2000 3.3419 -0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7772 -0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6316 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6889 -1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3745 0.2287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2729 1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5533 2.0389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1407 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8046 2.3854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9864 2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7303 3.2071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7327 3.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1858 3.6017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9663 4.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 5.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2775 5.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4124 6.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1871 6.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 7.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 7.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3741 8.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1568 8.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 9.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 9.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3438 10.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1535 3.3356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8279 3.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5766 3.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6509 2.6426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4546 2.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9764 2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 2.5140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5845 4.5990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1020 5.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 6.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6889 6.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6198 6.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7596 4.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4932 3.8303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4978 3.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7614 4.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9205 4.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 5.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1131 -0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3390 -1.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 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 13 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 32 31 1 1 0 0 0 7 32 1 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 33 34 1 6 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 33 38 1 0 0 0 0 38 39 1 0 0 0 0 26 39 1 0 0 0 0 39 40 1 6 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 5 44 1 1 0 0 0 44 45 1 0 0 0 0 M END > NP0168624 > NP-MRD > CCCCC\C=C\C=C/C(=O)O[C@H]1[C@H](O)[C@@H](C)[C@@](C)(C[C@@H](OO)C(=C)C=C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]123 > InChI=1S/C34H48O11/c1-8-10-11-12-13-14-15-16-28(38)43-30-29(39)21(4)33(7,19-26(45-40)20(3)9-2)27-18-24(37)17-25-31(41-22(5)35)44-32(34(25,27)30)42-23(6)36/h9,13-17,21,24,26-27,29-32,37,39-40H,2-3,8,10-12,18-19H2,1,4-7H3/b14-13+,16-15-/t21-,24+,26-,27+,29-,30+,31+,32-,33-,34-/m1/s1 > IXYXKSAIWQZQMQ-GFOBOEFZSA-N > C34H48O11 > 632.747 > 632.319662366 > 8 > 93 > 67.04200789018975 > 0 > 3 > 0 > 0 > (1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1,3-bis(acetyloxy)-7-[(2R)-2-hydroperoxy-3-methylidenepent-4-en-1-yl]-5,9-dihydroxy-7,8-dimethyl-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[1,8a-c]furan-10-yl (2Z,4E)-deca-2,4-dienoate > 4.24 > 4.772887191 > -4.92 > 1 > 3 > 0 > 13.8414854231819 > 11.706694059683644 > -2.866502558362936 > 158.04999999999998 > 166.10180000000005 > 17 > 0 > 7.58e-03 g/l > (1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1,3-bis(acetyloxy)-7-[(2R)-2-hydroperoxy-3-methylidenepent-4-en-1-yl]-5,9-dihydroxy-7,8-dimethyl-1H,3H,5H,6H,6aH,8H,9H,10H-naphtho[1,8a-c]furan-10-yl (2Z,4E)-deca-2,4-dienoate > 0 > NP0168624 > (1s,3r,5r,6as,7s,8s,9r,10r,10as)-1,3-bis(acetyloxy)-7-[(2r)-2-hydroperoxy-3-methylidenepent-4-en-1-yl]-5,9-dihydroxy-7,8-dimethyl-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl (2z,4e)-deca-2,4-dienoate $$$$