Mrv0541 02241220392D 64 70 0 0 0 0 999 V2000 -7.1203 2.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8347 2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8347 1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1203 1.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4058 1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4058 2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6913 2.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6913 1.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9769 1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9769 2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2624 2.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5479 4.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2624 3.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5479 2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 2.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 3.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6913 0.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1203 0.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 4.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 0.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 0.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 -0.7788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2625 -1.1913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5480 -0.7789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5480 0.0461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2625 0.4587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2624 1.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8336 -1.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2626 -2.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6915 -1.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6915 -2.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1205 -2.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8349 -2.4288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8349 -3.2538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1205 -3.6663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4060 -3.2538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4060 -2.4288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6915 -3.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1205 -4.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5494 -3.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5494 -2.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2639 -2.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6929 -2.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4073 -2.8413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.4073 -3.6663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.6929 -4.0788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9784 -3.6663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9784 -2.8413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2639 -4.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6929 -4.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1218 -4.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1218 -2.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8363 -2.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9781 2.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6926 2.5211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.6926 1.6961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9781 1.2836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2637 1.6961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2637 2.5211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5492 2.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5492 1.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9781 0.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4071 1.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4071 2.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 7 6 1 0 0 0 0 6 5 2 0 0 0 0 5 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 13 11 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 8 17 2 0 0 0 0 4 18 1 0 0 0 0 16 19 1 0 0 0 0 2 60 1 0 0 0 0 9 27 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 25 20 1 6 0 0 0 24 28 1 1 0 0 0 23 29 1 6 0 0 0 22 30 1 1 0 0 0 30 31 1 0 0 0 0 37 31 1 1 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 33 34 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 6 0 0 0 35 39 1 1 0 0 0 34 40 1 6 0 0 0 33 41 1 1 0 0 0 41 42 1 0 0 0 0 48 42 1 1 0 0 0 43 44 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 6 0 0 0 46 50 1 1 0 0 0 45 51 1 6 0 0 0 44 52 1 1 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 55 56 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 54 59 1 0 0 0 0 59 60 1 1 0 0 0 58 61 1 6 0 0 0 57 62 1 6 0 0 0 56 63 1 1 0 0 0 55 64 1 6 0 0 0 M END > CHEM026303 > chemdb > C[C@@H]1O[C@@H](OC2=CC3=C(C(O)=C2)C(=O)C(O[C@@H]2O[C@H](CO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]2O)=C(O3)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C39H50O25/c1-11-21(43)26(48)32(54)38(58-11)59-14-6-15(42)20-16(7-14)60-34(12-2-4-13(41)5-3-12)35(25(20)47)64-39-33(55)29(51)24(46)19(63-39)10-57-37-31(53)28(50)23(45)18(62-37)9-56-36-30(52)27(49)22(44)17(8-40)61-36/h2-7,11,17-19,21-24,26-33,36-46,48-55H,8-10H2,1H3/t11-,17+,18+,19+,21-,22+,23+,24+,26+,27-,28-,29-,30+,31+,32+,33+,36+,37+,38-,39-/m0/s1 > CNFGSZGDPBXGDR-SOBISPGZSA-N > C39H50O25 > 918.7993 > 918.26411715 > 25 > 86.26063301256211 > 0 > 15 > 0 > 0 > 5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one > -0.84 > -4.604099392333331 > -1.77 > 1 > 7 > 0 > 8.737886881129214 > 8.101975610795188 > -3.6786201995914976 > 403.5900000000001 > 202.72190000000003 > 12 > 0 > 1.55e+01 g/l > 5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one > 0 > Kaempferol 3-triglucoside 7-rhamnoside $$$$