Ketcher 12141715172D 1 1.00000 0.00000 0 24 24 0 1 0 999 V2000 7.7255 -3.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7213 -4.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7704 -3.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3878 -2.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7830 -4.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5877 -5.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 -4.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 -2.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3568 -3.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4498 -4.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3455 -3.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3119 -5.0571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2038 -2.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0572 -3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4448 -3.6915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3119 -6.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1759 -6.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0396 -6.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4480 -6.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5842 -6.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7203 -6.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1759 -7.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4480 -7.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9220 -2.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 1 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 1 0 0 0 6 10 1 0 0 0 9 11 2 0 0 0 10 12 1 0 0 0 11 13 1 0 0 0 13 14 1 0 0 0 5 7 1 0 0 0 10 15 2 0 0 0 16 12 1 6 0 0 17 18 1 0 0 0 16 17 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 16 19 1 0 0 0 17 22 2 0 0 0 19 23 1 1 0 0 14 24 1 0 0 0 M END > CHEBI:139301 > N-[(3R)-12-hydroxyjasmonyl]-L-isoleucine > An L-isoleucine derivative resulting from the formal condensation of the carboxy group of (3R)-12-hydroxyjasmonic acid with the amino group of L-isoleucine. > 3 > N-({(1R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetyl)-L-isoleucine > C18H29NO5 > 339.427 > 339.20457 > 0 > C1([C@H](CCC1=O)CC(N[C@H](C(O)=O)[C@H](CC)C)=O)C/C=C\CCO > InChI=1S/C18H29NO5/c1-3-12(2)17(18(23)24)19-16(22)11-13-8-9-15(21)14(13)7-5-4-6-10-20/h4-5,12-14,17,20H,3,6-11H2,1-2H3,(H,19,22)(H,23,24)/b5-4-/t12-,13+,14?,17-/m0/s1 > TXHIPUZLOILIIU-MJYWSMEFSA-N > 26688570 $$$$