Mrv0541 02241211482D 63 71 0 0 0 0 999 V2000 1.9304 0.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9454 -0.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2236 -0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5156 -0.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5307 -1.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2512 -1.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9592 -1.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6809 -1.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 -0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8683 -0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8463 1.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3193 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0513 2.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6521 -0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 0.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1382 1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1222 0.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1071 1.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8674 1.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5272 1.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4269 2.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1759 -1.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8977 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9115 -0.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6332 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6484 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3688 1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5906 -2.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6057 -1.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3262 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0328 -1.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3413 -0.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0631 -0.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7698 -0.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7546 -1.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4626 -1.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4476 -2.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1542 -3.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5342 2.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2408 1.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9627 2.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9764 3.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3911 2.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6707 1.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6555 1.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3623 0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0841 0.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6653 2.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 2.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9351 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2271 1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5053 0.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4901 -0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1982 -0.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1845 -1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8912 -1.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 -0.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 35 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 38 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 59 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 61 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 57 1 0 0 0 0 47 48 1 0 0 0 0 47 50 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 63 1 0 0 0 0 61 62 1 0 0 0 0 M END > CHEM027991 > chemdb > CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1 > InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h19-42,46-55H,5-18H2,1-4H3 > JNTJNUDLVQQYGM-UHFFFAOYSA-N > C45H74O18 > 903.0583 > 902.487515564 > 18 > 99.42432858433074 > 0 > 10 > 0 > 0 > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0.07 > 0.020377998333338254 > -3.23 > 1 > 9 > 0 > 12.35177290257026 > 11.872720244681659 > -2.9813780584908587 > 276.13999999999993 > 216.65580000000006 > 9 > 0 > 5.29e-01 g/l > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Yuccoside C > 55826-88-5 > Tomatoside B $$$$