HMDB0031845 RDKit 3D 3-Propylidene-1(3H)-isobenzofuranone 23 24 0 0 0 0 0 0 0 0999 V2000 -3.5089 -0.6813 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0856 -1.0744 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.2024 -0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 0.7683 -0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1662 2.0003 -1.3535 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1597 2.2838 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8377 3.2789 -1.5016 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 1.1578 -0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9814 0.9278 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2368 -0.2342 0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 -1.1356 0.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9294 -0.9247 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 0.2455 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8559 -1.5711 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2609 0.1211 1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1544 -0.3823 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2341 -1.8990 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6139 -1.3603 0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4581 0.7776 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 1.6526 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2636 -0.4094 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4808 -2.0549 1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2481 -1.6888 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 4 1 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 9 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 M END