ISISHOST03240423212D 1 1.00000 0.00000 7827 42 46 0 0 0 999 V2000 0.1379 0.4483 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5897 0.8759 0.0000 C 0 0 1 0 0 0 0 0 0 0.1310 -0.3897 0.0000 C 0 0 1 0 0 0 0 0 0 0.8655 0.8621 0.0000 C 0 0 1 0 0 0 0 0 0 0.4172 1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3172 0.4586 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5828 1.7138 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5966 -0.8069 0.0000 C 0 0 1 0 0 0 0 0 0 0.8552 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 1.5931 0.4379 0.0000 C 0 0 2 0 0 0 0 0 0 0.8724 1.7035 0.0000 C 0 0 2 0 0 0 0 0 0 -0.0103 1.6483 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3207 -0.3828 0.0000 C 0 0 1 0 0 0 0 0 0 -2.0483 0.8793 0.0000 C 0 0 1 0 0 0 0 0 0 -1.3241 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0.1483 2.1276 0.0000 C 0 0 1 0 0 0 0 0 0 -1.3517 2.0035 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6034 -1.6483 0.0000 O 0 0 0 0 0 0 0 0 0 1.5862 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 2.3241 0.8517 0.0000 O 0 0 0 0 0 0 0 0 0 1.6069 2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0483 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7759 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0448 1.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0.1448 2.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0.1103 -2.0655 0.0000 C 0 0 0 0 0 0 0 0 0 2.3103 -0.8276 0.0000 O 0 0 0 0 0 0 0 0 0 3.0483 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7759 -0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0448 -1.6483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5069 0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0.1034 -2.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0.8276 -1.6586 0.0000 O 0 0 0 0 0 0 0 0 0 3.7793 0.8483 0.0000 C 0 0 0 0 0 0 0 0 0 3.0448 -0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0.8138 -3.3103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6172 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0.8069 -4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5931 0.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0.1276 -1.2138 0.0000 H 0 0 0 0 0 0 0 0 0 0.8621 0.0379 0.0000 H 0 0 0 0 0 0 0 0 0 -1.3276 -1.2034 0.0000 H 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 1 5 1 1 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 4 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 6 14 1 0 0 0 6 15 1 1 0 0 7 16 1 0 0 0 7 17 1 0 0 0 8 18 1 6 0 0 9 19 1 0 0 0 10 20 1 1 0 0 11 21 1 6 0 0 13 22 1 0 0 0 14 23 1 0 0 0 14 24 1 1 0 0 16 25 1 6 0 0 18 26 1 0 0 0 19 27 2 0 0 0 20 28 1 0 0 0 22 29 2 0 0 0 22 30 1 0 0 0 23 31 2 0 0 0 26 32 1 0 0 0 26 33 2 0 0 0 28 34 1 0 0 0 28 35 2 0 0 0 32 36 2 0 0 0 32 37 1 0 0 0 36 38 1 0 0 0 7 12 1 1 0 0 8 13 1 0 0 0 10 19 1 0 0 0 11 16 1 0 0 0 23 29 1 0 0 0 2 39 1 6 0 0 3 40 1 1 0 0 4 41 1 1 0 0 13 42 1 6 0 0 M END > CHEBI:9876 > Undulatone > 2 > Undulatone > C27H34O11 > 534.553 > 534.21011 > 0 > C\C=C(/C)C(=O)O[C@H]1[C@H]2OC(=O)[C@H](OC(C)=O)[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]23[C@H]4[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@H]12 > InChI=1S/C27H34O11/c1-7-10(2)22(32)37-17-15-11(3)8-14(29)20(31)25(15,6)24-26-9-35-27(24,34)19(30)12(4)16(26)18(36-13(5)28)23(33)38-21(17)26/h7-8,12,15-21,24,30-31,34H,9H2,1-6H3/b10-7+/t12-,15-,16-,17-,18-,19-,20-,21-,24-,25-,26-,27+/m1/s1 > VKCVPDRXEYKUOZ-ZZWVBLAUSA-N > 70993-77-0 > C08787 > C00003735 $$$$