60 62 0 0 1 0 0 0 0 0999 V2000 33.0400 -23.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0400 -24.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2300 -25.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4900 -24.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2300 -27.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4900 -27.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6800 -27.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6800 -25.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1600 -22.6800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.7400 -21.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3400 -21.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9900 -22.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5800 -20.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5800 -18.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7700 -18.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0300 -18.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1500 -18.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3400 -18.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6000 -18.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7900 -18.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.9100 -18.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1700 -18.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9100 -20.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3900 -18.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.0300 -20.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.1700 -20.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.9800 -21.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3600 -21.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3600 -22.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4100 -23.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3800 -24.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7100 -24.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4100 -25.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4100 -23.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8100 -23.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5100 -24.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8400 -24.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5400 -25.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9400 -25.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8100 -23.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8700 -27.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.5500 -20.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.7400 -21.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.9300 -20.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1200 -21.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3800 -20.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5500 -18.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.7400 -22.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 50.1200 -22.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2000 -18.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8700 -29.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6100 -29.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6100 -31.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8000 -31.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0600 -31.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0600 -29.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.2500 -31.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8000 -33.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4900 -31.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4200 -29.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 4 8 1 0 0 0 1 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 1 12 2 0 0 0 10 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 13 23 1 0 0 0 14 24 1 0 0 0 16 25 1 0 0 0 22 26 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 32 34 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 36 37 2 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 31 8 1 0 0 0 30 39 1 0 0 0 30 40 2 0 0 0 7 41 1 0 0 0 28 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 42 47 1 0 0 0 43 48 1 0 0 0 45 49 1 0 0 0 24 50 1 0 0 0 51 41 1 6 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 51 56 1 0 0 0 55 57 1 6 0 0 54 58 1 1 0 0 53 59 1 6 0 0 52 60 1 1 0 0 M END > CHEBI:80059 > Chivosazole C > 2 > C47H67NO12 > 838.03440 > 837.46633 > 0 > COC1CC(O)\C=C\C=C\C=C/C(C)C(OC(=O)\C=C/C=C/C=C\C(C)=C\C(C)C(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)\C=C/C=C/c2coc(n2)C1C)C(C)C(O)CC(C)O > InChI=1S/C47H67NO12/c1-29-19-13-9-12-16-24-41(52)60-45(33(5)38(51)26-32(4)49)30(2)20-14-10-11-15-22-37(50)27-40(56-8)34(6)46-48-36(28-57-46)21-17-18-23-39(31(3)25-29)59-47-44(55)43(54)42(53)35(7)58-47/h9-25,28,30-35,37-40,42-45,47,49-51,53-55H,26-27H2,1-8H3/b11-10+,12-9+,19-13-,20-14-,21-17+,22-15+,23-18-,24-16-,29-25+/t30?,31?,32?,33?,34?,35-,37?,38?,39?,40?,42-,43+,44-,45?,47+/m1/s1 > OTUVKXUFJAKVNU-VWWXXOFZSA-N > C15730 $$$$