Mrv0541 09111213542D 109114 0 0 0 0 999 V2000 -6.4236 5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4098 4.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4236 3.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9322 3.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9732 4.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9322 5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4236 6.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4236 4.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4098 3.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3702 1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3564 0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3702 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8785 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9197 0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8785 1.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3702 2.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9221 2.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3702 0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3564 0.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8785 -0.8225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7971 4.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8134 3.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7971 2.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2912 2.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 3.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2912 4.8812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 5.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8134 4.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7971 4.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2912 2.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3515 2.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 1.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3515 0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8044 1.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 2.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3515 3.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8044 2.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3515 1.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 0.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 -0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1555 2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1416 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1555 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 2.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 2.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1416 2.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1555 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 -0.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0634 -4.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0771 -5.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0634 -6.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5549 -6.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5138 -5.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5549 -4.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0634 -3.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5138 -3.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0634 -5.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0771 -6.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5549 -7.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9315 -1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3493 -2.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6426 -1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3564 -1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2203 -1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5068 -1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7956 -1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 -1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3733 -1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6599 -1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9486 -1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2374 -1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 -1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8982 -1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6094 -1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3229 -1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6094 -2.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2374 -2.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 -2.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 -2.7974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1749 6.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4637 7.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7525 6.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 7.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 6.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 7.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 6.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1919 7.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5192 6.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2301 7.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9439 6.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6548 7.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 6.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0796 7.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7908 6.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8909 7.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 5.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5192 5.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7838 6.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9508 6.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1373 6.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0837 3.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 -3.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7342 -2.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0366 -1.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1749 5.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5103 1 0 0 0 0 7104 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 16105 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27109 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 0 0 0 0 31 37 1 0 0 0 0 32 33 1 0 0 0 0 32 40 1 0 0 0 0 33 34 1 0 0 0 0 33 39 1 0 0 0 0 34 35 1 0 0 0 0 34 41 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 37 48 1 0 0 0 0 42 43 1 0 0 0 0 42 47 1 0 0 0 0 42 50 1 0 0 0 0 43 44 1 0 0 0 0 43 49 1 0 0 0 0 44 45 1 0 0 0 0 44108 1 0 0 0 0 45 46 1 0 0 0 0 45 51 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 52 53 1 0 0 0 0 52 57 1 0 0 0 0 52 58 1 0 0 0 0 53 54 1 0 0 0 0 53 61 1 0 0 0 0 54 55 1 0 0 0 0 54 60 1 0 0 0 0 55 56 1 0 0 0 0 55 62 1 0 0 0 0 56 57 1 0 0 0 0 56 59 1 0 0 0 0 58106 1 0 0 0 0 59 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 63 67 1 0 0 0 0 65 66 2 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 70 82 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 74 75 1 0 0 0 0 74 81 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 76 83 1 0 0 0 0 77 78 2 0 0 0 0 78 79 1 0 0 0 0 78 80 1 0 0 0 0 79107 2 0 0 0 0 79108 1 0 0 0 0 84 85 2 0 0 0 0 84 99 1 0 0 0 0 84109 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 2 0 0 0 0 88100 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 2 0 0 0 0 92101 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96102 1 0 0 0 0 96103 1 0 0 0 0 97 98 2 0 0 0 0 M END > CHEM024745 > chemdb > CC1OC(OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C)C(O)C(OC2OC(COC3OC(C)C(O)C(OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C1O > InChI=1S/C76H124O33/c1-13-75(11,108-73-62(93)57(88)53(84)47(33-78)102-73)28-18-26-39(5)22-16-24-40(6)30-45(80)31-42(8)68(96)105-65-50(81)43(9)100-70(63(65)94)98-36-49-55(86)58(89)61(92)72(104-49)106-66-51(82)44(10)99-69(64(66)95)97-35-41(7)25-17-23-37(3)20-15-21-38(4)27-19-29-76(12,14-2)109-74-67(59(90)54(85)48(34-79)103-74)107-71-60(91)56(87)52(83)46(32-77)101-71/h13-14,20,24-27,31,43-67,69-74,77-95H,1-2,15-19,21-23,28-30,32-36H2,3-12H3/b37-20+,38-27+,39-26+,40-24+,41-25-,42-31+ > PRLBTECIKSGMOX-PPZRNWIWSA-N > C76H124O33 > 1565.778 > 1564.802486494 > 32 > 165.92215575569702 > 0 > 19 > 0 > 0 > 2-({6-[(2-{[(2Z,6E,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,5-dihydroxy-6-methyloxan-4-yl (2E,6E,10E)-4-hydroxy-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraenoate > 1.58 > 0.9805628979999989 > -4.26 > 1 > 6 > 0 > 11.994358937917209 > 11.605876838565004 > -3.6786287619641804 > 521.4300000000002 > 388.5311999999998 > 40 > 0 > 8.56e-02 g/l > 2-({6-[(2-{[(2Z,6E,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,5-dihydroxy-6-methyloxan-4-yl (2E,6E,10E)-4-hydroxy-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraenoate > 0 > Capsianside B > 121924-07-0 $$$$