HMDB0035591 RDKit 3D 3-Caren-5-one 25 26 0 0 0 0 0 0 0 0999 V2000 3.2034 -1.0493 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 -0.4455 0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6808 0.6656 1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3281 1.2915 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 2.4460 1.5396 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7127 0.3824 0.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1775 -0.0156 -0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7536 -1.1181 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 0.2833 -0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1054 1.5848 -1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -0.8352 -0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2887 -1.9779 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0028 -0.3576 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4499 -1.3240 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 1.1464 1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8245 -0.4582 1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4089 0.7782 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1119 -1.6796 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3039 -1.8532 0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5846 2.4621 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9528 1.6573 -2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1548 1.6541 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -0.7366 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2884 -0.6685 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0791 -1.8325 -0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 8 2 1 0 9 6 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 6 16 1 0 7 17 1 0 8 18 1 0 8 19 1 0 10 20 1 0 10 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 11 25 1 0 M END