HMDB0041301 RDKit 3D (3R, 6'Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one 63 64 0 0 0 0 0 0 0 0999 V2000 -8.9581 1.9903 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3102 0.8214 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1322 0.2721 0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5925 -0.8950 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4238 -1.5667 0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2487 -0.6530 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7032 -0.0592 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5218 0.8151 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 0.1678 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0481 -1.1119 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 -1.5615 0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9131 -2.4777 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 -2.9802 0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2718 -1.8782 0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4156 -1.1002 -0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3955 0.0210 -0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7923 -0.4500 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6826 0.7146 -0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0303 0.5200 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9151 1.5563 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4722 2.7957 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0935 3.0213 0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 4.2579 0.7571 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2161 1.9669 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7816 2.1212 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2616 3.2432 0.7156 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 1.0199 0.1909 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0672 1.8322 0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7128 2.0256 1.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6776 2.9683 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9441 1.1524 -0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0218 -0.0032 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4700 -0.0487 1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3652 1.0806 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4596 -1.6049 -0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2738 -0.4947 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0977 -2.3851 -0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7006 -2.0160 1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6481 0.1948 1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4921 -1.2166 1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4126 -0.8727 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5258 0.4830 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 1.6765 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3217 1.3395 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 0.8482 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -1.8344 0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 -0.6715 0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1679 -2.0413 1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8829 -1.9875 -1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2354 -3.3575 -0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6011 -3.6852 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -3.5718 1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8857 -1.2409 1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1974 -2.3373 0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 -0.6446 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6288 -1.7708 -1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 0.4902 -1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8171 -1.1490 0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2146 -1.0076 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 -0.4411 -0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0008 1.4365 -0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1376 3.6336 0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8031 4.6498 0.9285 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 1 0 7 8 1 0 8 9 1 0 9 10 2 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 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 27 16 1 0 24 18 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 17 58 1 0 17 59 1 0 19 60 1 0 20 61 1 0 21 62 1 0 23 63 1 0 M END