56936288 CDK 1202211637 46 46 0 0 0 0 0 0 0 0999 V2000 3.5220 -2.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -2.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -3.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -4.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -3.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -2.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8088 2.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 2.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -3.5847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5220 -3.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -3.5847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2364 -2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -2.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -3.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -3.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 3.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 3.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -3.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8088 -3.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 4.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5233 -3.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2378 -3.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 -3.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6667 -3.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 5.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3812 -3.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0957 -3.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 11 3 1 1 0 0 0 3 24 1 0 0 0 0 4 12 1 0 0 0 0 13 5 1 1 0 0 0 6 23 1 0 0 0 0 6 25 1 0 0 0 0 7 23 2 0 0 0 0 8 24 2 0 0 0 0 9 40 1 0 0 0 0 10 40 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 26 1 0 0 0 0 24 32 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 33 1 0 0 0 0 30 36 1 0 0 0 0 31 40 1 0 0 0 0 32 35 2 0 0 0 0 33 34 1 0 0 0 0 34 38 1 0 0 0 0 35 37 1 0 0 0 0 37 39 1 0 0 0 0 38 44 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 M END > CHEBI:185713 > 3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid > 2 > 3-[3-[(3S,5R)-3-[(E)-dec-2-enoyl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxydecanoyloxy]decanoic acid > C36H64O10 > 656.898 > 656.44995 > 0 > O1C(OC(CCCCCCC)CC(OC(CCCCCCC)CC(O)=O)=O)[C@@H](OC(=O)/C=C/CCCCCCC)C(O)[C@@H](O)C1C > InChI=1S/C36H64O10/c1-5-8-11-14-15-18-21-24-31(39)46-35-34(42)33(41)27(4)43-36(35)45-29(23-20-17-13-10-7-3)26-32(40)44-28(25-30(37)38)22-19-16-12-9-6-2/h21,24,27-29,33-36,41-42H,5-20,22-23,25-26H2,1-4H3,(H,37,38)/b24-21+/t27?,28?,29?,33-,34?,35-,36?/m0/s1 > LCKJKDMAMQKASH-GHXRWXCRSA-N > LMFA13030004 $$$$