HMDB0039606 RDKit 3D Repandiol 24 25 0 0 0 0 0 0 0 0999 V2000 -5.1593 0.0487 -1.3129 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 0.1816 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0607 -1.1666 0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4299 -2.1342 -0.3886 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7679 -1.6195 0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5398 -0.8955 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -0.2860 0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 0.4361 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6523 1.0695 -0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 1.8622 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5919 1.2136 -1.7771 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1383 1.3284 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4028 -0.0113 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3395 -0.6654 -0.5934 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0869 0.3155 -1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8981 0.7765 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4124 0.6847 -0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9596 -1.5843 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6778 -2.4187 1.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7095 2.9423 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 1.9732 -0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 -0.6058 0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 0.1292 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0071 -1.5741 -0.7175 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 3 0 7 8 1 0 8 9 3 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 5 3 1 0 12 10 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 5 19 1 0 10 20 1 0 12 21 1 0 13 22 1 0 13 23 1 0 14 24 1 0 M END