HMDB0303939 RDKit 3D (+)-7-iso-jasmonate 32 32 0 0 0 0 0 0 0 0999 V2000 4.4311 0.4728 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 0.2647 -0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 -0.6111 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 -0.2239 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3687 -1.1537 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -0.6344 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7976 -1.7009 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0437 -2.4900 1.4104 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5009 -1.5909 -0.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6084 -0.0903 -0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4983 0.5101 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1223 1.3149 0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8946 2.4766 0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9348 2.6417 -0.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5471 3.3469 1.2630 O 0 0 0 0 0 1 0 0 0 0 0 0 4.9787 -0.4768 1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5776 0.5201 1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1108 1.3284 1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6746 -0.2728 -0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6412 1.2130 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8731 -1.6044 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 0.7697 -0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0411 -1.3507 -1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -2.1166 0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 -0.3793 1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 -2.0774 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9452 -2.0504 -1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 0.2052 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 0.1656 -2.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 1.1671 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8273 0.7007 1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 1.7260 1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 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 11 6 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 M CHG 1 15 -1 M END