HMDB0060066 RDKit 3D Spermic acid 1 38 37 0 0 0 0 0 0 0 0999 V2000 6.0666 0.9246 -0.9322 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 0.1946 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6191 1.0363 -0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3527 0.2015 -0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3764 -0.3713 0.6719 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1064 -0.9699 1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0867 0.0844 1.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 -0.4867 1.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8084 -1.3409 0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9596 -0.5893 -0.5709 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9117 0.4660 -0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -0.0495 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2887 1.0643 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8702 2.2337 -0.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6300 0.7832 -0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1221 1.8237 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9149 0.3397 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8276 -0.6442 -1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8869 -0.2167 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 1.8404 -0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 1.5119 -1.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 0.7958 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -0.6044 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0904 -1.1635 0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 -1.6717 1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7848 -1.5846 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4116 0.7966 2.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 0.6747 0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -1.1988 2.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9356 0.2457 2.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7521 -1.7832 1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1153 -2.1717 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3162 -1.2933 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 1.2619 0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 0.9988 -1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4026 -0.7435 0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5052 -0.6612 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0910 0.2665 -1.0381 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 15 38 1 0 M END