Mrv1652305221920402D 62 69 0 0 1 0 999 V2000 12.5968 -3.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8342 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6943 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2657 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1228 -0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5588 -3.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0675 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1246 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7246 -1.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3295 -4.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4813 -1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2841 -0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5809 -0.7943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4752 -1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2535 -2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9479 -2.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6765 -1.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1337 -2.5108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7267 -2.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0242 -3.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3617 -2.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0783 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9862 -3.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5950 -2.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2510 -1.2776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7551 -0.6134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2521 -1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2540 -2.2438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4038 -2.0968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5473 -0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1696 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 -2.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 -2.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5011 -1.8690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3676 -5.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2480 -1.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0883 -0.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8899 -0.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2864 -3.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7570 -4.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0088 -2.8348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6798 -2.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8098 -3.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1851 -3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4482 -1.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1649 -0.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0096 0.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4100 -3.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1614 -3.3248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -2.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7964 -2.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9574 -0.0463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8090 -1.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0479 -0.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5474 -2.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6076 -2.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3101 -0.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1682 -3.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0539 -1.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6739 0.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8041 -2.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0908 -2.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 4 2 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 16 7 1 0 0 0 0 16 15 1 0 0 0 0 17 8 1 0 0 0 0 18 9 1 0 0 0 0 18 17 1 0 0 0 0 19 6 1 0 0 0 0 20 10 2 0 0 0 0 21 11 2 0 0 0 0 22 12 2 0 0 0 0 23 15 2 0 0 0 0 23 20 1 0 0 0 0 24 16 2 0 0 0 0 24 21 1 0 0 0 0 26 13 1 0 0 0 0 26 25 1 0 0 0 0 27 17 2 0 0 0 0 27 22 1 0 0 0 0 28 19 1 0 0 0 0 29 25 1 0 0 0 0 29 28 1 0 0 0 0 30 7 1 0 0 0 0 31 8 1 0 0 0 0 32 9 1 0 0 0 0 33 18 1 0 0 0 0 34 14 1 0 0 0 0 34 33 1 0 0 0 0 35 10 1 0 0 0 0 36 11 1 0 0 0 0 37 12 1 0 0 0 0 38 14 2 0 0 0 0 39 19 2 0 0 0 0 40 20 1 0 0 0 0 41 21 1 0 0 0 0 42 22 1 0 0 0 0 43 23 1 0 0 0 0 44 24 1 0 0 0 0 45 25 1 0 0 0 0 46 30 2 0 0 0 0 47 31 2 0 0 0 0 48 32 2 0 0 0 0 49 33 1 0 0 0 0 50 33 1 0 0 0 0 34 51 1 6 0 0 0 52 5 1 0 0 0 0 52 30 1 0 0 0 0 53 13 1 0 0 0 0 53 28 1 0 0 0 0 54 26 1 0 0 0 0 54 31 1 0 0 0 0 55 29 1 0 0 0 0 55 32 1 0 0 0 0 56 27 1 0 0 0 0 56 34 1 0 0 0 0 13 57 1 6 0 0 0 18 58 1 6 0 0 0 25 59 1 6 0 0 0 26 60 1 1 0 0 0 28 61 1 6 0 0 0 29 62 1 1 0 0 0 M END > FDB018813 > foodb > [H][C@]12COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)[C@]([H])(O1)[C@]1([H])OC(=O)C3=CC(=O)[C@@]4(O)OC5=C(C(=CC(O)=C5O)C(=O)O[C@@]2([H])[C@]1([H])O)[C@]3([H])C4(O)O > InChI=1S/C34H24O22/c35-10-1-6-15(23(43)20(10)40)16-7(2-11(36)21(41)24(16)44)30(46)52-5-13-26-25(45)29(28(53-13)19(6)39)55-32(48)9-4-14(38)34(51)33(49,50)18(9)17-8(31(47)54-26)3-12(37)22(42)27(17)56-34/h1-4,13,18,25-26,28-29,35-37,40-45,49-51H,5H2/t13-,18-,25+,26-,28+,29-,34-/m1/s1 > BEAQEKRAXFQCBO-AHMBPAJWSA-N > C34H24O22 > 784.5412 > 784.075922452 > 19 > 80 > 68.81026190522854 > 0 > 12 > 0 > 0 > (1R,2R,19R,20S,29S,31S,37S)-6,7,8,11,12,13,25,26,30,30,31,37-dodecahydroxy-17,21,36,38,39-pentaoxaoctacyclo[18.16.1.1^{2,19}.1^{27,31}.0^{4,9}.0^{10,15}.0^{23,28}.0^{29,34}]nonatriaconta-4,6,8,10,12,14,23,25,27,33-decaene-3,16,22,32,35-pentone > 1.48 > 0.12973378133333363 > -1.77 > 0 > 8 > -2 > 7.042206314139823 > 5.647659921032537 > -5.554710182617868 > 374.2600000000001 > 173.58670000000015 > 0 > 0 > 1.34e+01 g/l > (1R,2R,19R,20S,29S,31S,37S)-6,7,8,11,12,13,25,26,30,30,31,37-dodecahydroxy-17,21,36,38,39-pentaoxaoctacyclo[18.16.1.1^{2,19}.1^{27,31}.0^{4,9}.0^{10,15}.0^{23,28}.0^{29,34}]nonatriaconta-4,6,8,10,12,14,23,25,27,33-decaene-3,16,22,32,35-pentone > 0 > FDB018813 > Granatin A $$$$