HMDB0038566 RDKit 3D 3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone 95 96 0 0 0 0 0 0 0 0999 V2000 -14.1151 -0.2894 1.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5279 0.6686 2.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3446 1.3728 1.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2578 0.3739 0.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1442 1.2065 0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9889 0.4329 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5222 0.3972 -1.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3583 -0.4128 -1.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8674 -0.4653 -2.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6624 -1.3061 -3.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5835 -0.3480 -3.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2472 0.6693 -2.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7276 0.0179 -1.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4515 -0.7572 -1.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9554 -1.4163 -0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6737 -2.1346 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4246 -1.2369 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7349 -0.2060 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 0.7523 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8764 -0.2263 0.6564 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0829 0.8051 1.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4095 0.5109 2.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 0.5363 1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8242 0.2710 1.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0138 0.0159 2.9418 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9418 0.3093 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7526 0.5883 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8259 0.6343 -1.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0884 0.3971 -0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2677 0.1161 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2070 0.0688 1.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4484 -0.2283 2.6644 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5957 -0.1443 0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7354 -0.4594 2.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7710 -0.0354 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4179 0.8648 -1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5888 0.8717 -2.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2830 2.2712 -0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2288 0.4241 -1.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 -0.7949 2.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 -0.9882 4.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4886 -2.3240 4.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 0.0127 5.0342 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2270 -0.2545 1.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7870 -1.3060 1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8105 0.0332 0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1552 0.1221 2.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2345 1.4701 2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6103 1.9213 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8617 2.0786 2.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9021 -0.1999 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6244 -0.3164 0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5965 1.8393 -0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7648 1.9285 1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4663 -0.1739 0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0166 0.9853 -2.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8765 -0.9974 -0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3185 0.0971 -3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3050 -1.9014 -2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 -1.9877 -3.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0119 0.2154 -4.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7006 -0.8934 -4.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2013 1.1673 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5649 1.4024 -3.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5007 -0.6053 -0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4813 0.8268 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 -1.5761 -2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 -0.0557 -1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6934 -2.1733 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8111 -0.6740 0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2945 -2.6555 0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8824 -2.8827 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -1.8848 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2114 -0.7221 -2.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 1.7572 1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2467 0.8161 2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 1.2378 3.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 -0.2080 0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4061 1.5346 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 0.7846 -0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6944 0.8521 -2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5076 0.5651 3.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5626 -1.1943 3.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5736 0.5076 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1621 -1.0247 -0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0517 -0.1280 -2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3526 1.5408 -1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2935 1.2119 -3.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3404 2.3794 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1264 2.4159 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3024 2.9966 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1989 -1.6697 2.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4905 -2.8050 4.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -2.1912 5.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8175 -3.0221 4.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 30 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 22 40 1 0 40 41 1 0 41 42 1 0 41 43 2 0 31 26 1 0 39 29 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 10 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 13 66 1 0 14 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 16 72 1 0 17 73 1 0 17 74 1 0 21 75 1 0 21 76 1 0 22 77 1 0 23 78 1 0 23 79 1 0 27 80 1 0 28 81 1 0 32 82 1 0 32 83 1 0 35 84 1 0 35 85 1 0 37 86 1 0 37 87 1 0 37 88 1 0 38 89 1 0 38 90 1 0 38 91 1 0 40 92 1 0 42 93 1 0 42 94 1 0 42 95 1 0 M END