Mrv1652305221920432D 94106 0 0 1 0 999 V2000 6.9691 -2.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 -3.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0118 -0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 -1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3608 -4.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3271 0.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8323 -1.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0146 -1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2056 -2.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2483 -1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1557 -1.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -3.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8065 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5531 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6215 -2.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 -4.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5634 -1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1051 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6642 -1.4623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7213 -1.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4932 -1.9407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2975 -2.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9774 -3.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4648 -1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 -1.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3346 -2.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0351 -3.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -3.1765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8365 -3.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4019 -3.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7052 -2.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7855 -4.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1642 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0722 -2.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7216 -3.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6002 -1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -2.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9738 -2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 -1.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5531 -2.2798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1372 -2.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 -2.7605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4858 -3.9031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6439 -3.0899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7373 -2.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7056 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6263 -0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4723 -3.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -2.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2272 -4.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 -3.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 0.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5790 -2.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5584 -5.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2005 -1.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3117 -5.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 0.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3747 -0.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2251 -4.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 -2.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 -5.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1787 -0.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5134 -3.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7886 -3.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8063 -2.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 -0.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -3.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1704 -2.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -1.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -1.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6325 -0.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1297 0.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0912 -4.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5065 -3.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7946 -5.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7989 -1.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 -1.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7896 -2.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7653 -3.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 -4.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9804 -2.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0394 -2.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3927 -1.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 -2.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 -3.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3316 -4.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4421 -3.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 -2.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 -4.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2874 -3.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 6 2 0 0 0 0 14 7 2 0 0 0 0 14 10 1 0 0 0 0 15 1 1 0 0 0 0 16 2 2 0 0 0 0 17 4 1 0 0 0 0 18 5 1 0 0 0 0 19 6 1 0 0 0 0 20 3 1 0 0 0 0 21 7 1 0 0 0 0 22 8 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 24 23 1 0 0 0 0 25 13 1 0 0 0 0 26 21 2 0 0 0 0 27 25 1 0 0 0 0 29 27 2 0 0 0 0 29 28 1 0 0 0 0 30 28 1 0 0 0 0 31 26 1 0 0 0 0 32 30 1 0 0 0 0 33 15 2 0 0 0 0 33 16 1 0 0 0 0 34 17 2 0 0 0 0 35 18 2 0 0 0 0 36 19 2 0 0 0 0 37 23 2 0 0 0 0 37 34 1 0 0 0 0 38 24 2 0 0 0 0 38 35 1 0 0 0 0 39 25 2 0 0 0 0 39 36 1 0 0 0 0 40 27 1 0 0 0 0 41 28 2 0 0 0 0 42 30 2 0 0 0 0 43 40 2 0 0 0 0 43 41 1 0 0 0 0 44 9 1 1 0 0 0 44 20 1 0 0 0 0 45 10 2 0 0 0 0 45 26 1 0 0 0 0 46 22 1 0 0 0 0 47 31 1 0 0 0 0 48 46 1 0 0 0 0 48 47 1 0 0 0 0 49 42 1 0 0 0 0 50 11 1 0 0 0 0 51 13 1 0 0 0 0 52 12 1 0 0 0 0 53 29 1 0 0 0 0 54 32 1 0 0 0 0 55 31 1 0 0 0 0 55 32 1 0 0 0 0 55 49 1 0 0 0 0 56 14 1 0 0 0 0 57 15 1 0 0 0 0 58 16 1 0 0 0 0 59 17 1 0 0 0 0 60 18 1 0 0 0 0 61 19 1 0 0 0 0 20 62 1 6 0 0 0 63 33 1 0 0 0 0 64 34 1 0 0 0 0 65 35 1 0 0 0 0 66 36 1 0 0 0 0 67 37 1 0 0 0 0 68 38 1 0 0 0 0 69 39 1 0 0 0 0 70 40 1 0 0 0 0 71 41 1 0 0 0 0 72 42 1 0 0 0 0 73 43 1 0 0 0 0 74 49 2 0 0 0 0 75 50 2 0 0 0 0 76 51 2 0 0 0 0 77 52 2 0 0 0 0 78 53 2 0 0 0 0 79 54 2 0 0 0 0 80 8 1 0 0 0 0 80 50 1 0 0 0 0 81 22 1 0 0 0 0 81 51 1 0 0 0 0 82 44 1 0 0 0 0 82 45 1 0 0 0 0 83 46 1 0 0 0 0 83 52 1 0 0 0 0 84 47 1 0 0 0 0 84 54 1 0 0 0 0 85 48 1 0 0 0 0 85 53 1 0 0 0 0 86 21 1 0 0 0 0 86 55 1 0 0 0 0 20 87 1 1 0 0 0 22 88 1 1 0 0 0 31 89 1 1 0 0 0 90 32 1 0 0 0 0 44 91 1 6 0 0 0 46 92 1 6 0 0 0 47 93 1 6 0 0 0 48 94 1 6 0 0 0 M END > FDB019412 > foodb > [H]C12C3=C(O)C(=O)C11OC4=C(C5=C(C[C@]([H])(O)[C@]([H])(O5)C5=CC(O)=C(O)C(O)=C5)C(O)=C4)[C@]1([H])[C@]([H])(OC2=O)[C@@]1([H])OC(=O)C2=C(C(O)=C(O)C(O)=C32)C2=C(O)C(O)=C(O)C=C2C(=O)O[C@]2([H])COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@]12[H] > InChI=1S/C55H36O31/c56-14-7-21-26(45-10(14)3-20(62)44(82-45)9-1-15(57)33(63)16(58)2-9)31-47-48-46-22(8-80-50(75)11-4-17(59)34(64)37(67)23(11)24-12(52(77)83-46)5-18(60)35(65)38(24)68)81-51(76)13-6-19(61)36(66)39(69)25(13)27-29(53(78)85-48)28(41(71)43(73)40(27)70)30-32(54(79)84-47)55(31,86-21)49(74)42(30)72/h1-2,4-7,20,22,31-32,44,46-48,56-73H,3,8H2/t20-,22+,31+,32?,44+,46+,47-,48-,55?/m0/s1 > XWKIGIQTPIVWIV-RPGRQPPVSA-N > C55H36O31 > 1192.8557 > 1192.124054434 > 26 > 122 > 107.00170464069949 > 0 > 18 > 0 > 0 > (1R,2R,20R,44S,45R,49R,50S)-7,8,9,12,13,14,25,26,27,30,31,32,35,41,44-pentadecahydroxy-45-(3,4,5-trihydroxyphenyl)-3,18,21,38,46,51,54-heptaoxadodecacyclo[27.21.3.3^{34,50}.0^{2,20}.0^{5,10}.0^{11,16}.0^{23,28}.0^{33,53}.0^{37,49}.0^{39,48}.0^{42,47}.0^{37,56}]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39(48),40,42(47)-hexadecaene-4,17,22,36,52,55-hexone > 3.21 > 2.844246398333334 > -2.51 > 0 > 13 > -2 > 7.321451278845645 > 6.567289844367828 > -4.784568528531982 > 531.1700000000001 > 275.9545999999999 > 1 > 0 > 3.68e+00 g/l > (1R,2R,20R,44S,45R,49R,50S)-7,8,9,12,13,14,25,26,27,30,31,32,35,41,44-pentadecahydroxy-45-(3,4,5-trihydroxyphenyl)-3,18,21,38,46,51,54-heptaoxadodecacyclo[27.21.3.3^{34,50}.0^{2,20}.0^{5,10}.0^{11,16}.0^{23,28}.0^{33,53}.0^{37,49}.0^{39,48}.0^{42,47}.0^{37,56}]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39(48),40,42(47)-hexadecaene-4,17,22,36,52,55-hexone > 0 > FDB019412 > Psidinin A $$$$