lambertianin C.cdx Mrv2104 06072104252D 201224 0 0 0 0 999 V2000 12.6627 -11.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0752 -12.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9002 -12.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3127 -11.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9002 -11.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0752 -11.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3127 -10.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1377 -10.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5502 -9.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1377 -9.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3127 -9.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9002 -9.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9002 -8.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0752 -9.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5502 -8.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4918 -10.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8377 -11.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6627 -13.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7260 -13.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3135 -12.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5154 -12.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7222 -12.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1346 -13.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9328 -12.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5229 -12.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3019 -11.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5050 -11.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0077 -12.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4963 -13.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9328 -13.7715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7359 -15.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1484 -16.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9734 -16.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3859 -15.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9734 -14.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1484 -14.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2109 -15.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6234 -16.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4484 -16.1780 0.0000 C 0 0 0 0 0 0 0 0 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0 0 0 0 21.6663 -13.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3808 -12.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3808 -12.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6663 -11.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9519 -12.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6663 -10.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0953 -11.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0953 -13.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 -16.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9605 -17.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7855 -17.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 -16.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7855 -15.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9605 -15.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 -15.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 -15.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 -14.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 -13.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 -13.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7855 -14.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2713 -20.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8588 -19.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0338 -19.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0963 -20.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5088 -20.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3338 -20.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7463 -20.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3338 -19.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5088 -19.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5713 -20.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7463 -21.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2953 -21.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0724 -21.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6213 -21.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7963 -20.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2713 -18.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5552 -19.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1690 -16.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5856 -16.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6996 -17.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 -17.8038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7974 -18.6924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8547 -19.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2010 -17.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2010 -18.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9155 -17.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6300 -17.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3444 -17.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3444 -16.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6300 -16.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9155 -16.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6300 -15.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0589 -16.1640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0589 -17.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2467 -7.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6592 -8.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4842 -8.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8967 -7.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4842 -6.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6592 -6.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8967 -5.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7217 -5.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1342 -5.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7217 -4.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8967 -4.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4842 -5.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4842 -3.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6592 -5.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1342 -3.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0758 -6.0682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4217 -7.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2467 -8.7950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3101 -8.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8976 -7.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0995 -8.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3062 -7.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7187 -8.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5168 -8.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1070 -8.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8859 -7.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0891 -7.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5918 -8.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0803 -8.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5168 -9.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3200 -10.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7325 -11.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5575 -11.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9700 -10.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5575 -10.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7325 -10.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7950 -10.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2075 -11.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0325 -11.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4450 -10.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0325 -10.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2075 -10.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2700 -10.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4450 -12.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9939 -12.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7710 -12.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3200 -12.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4950 -10.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9700 -9.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2539 -9.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8676 -6.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2843 -7.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3982 -7.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8967 -8.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4961 -9.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5533 -10.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8214 -8.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8214 -9.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5359 -8.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2504 -8.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9648 -8.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9648 -7.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2504 -7.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5359 -7.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2504 -6.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6793 -7.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6793 -8.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 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 11 12 2 0 0 0 0 12 7 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 10 15 1 0 0 0 0 6 16 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 34 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 39 44 1 0 0 0 0 38 45 1 0 0 0 0 33 46 1 0 0 0 0 32 47 1 0 0 0 0 31 48 1 0 0 0 0 35 49 1 0 0 0 0 42 50 1 0 0 0 0 8 51 1 0 0 0 0 51 52 2 0 0 0 0 4 53 1 0 0 0 0 53 54 2 0 0 0 0 53 28 1 0 0 0 0 27 51 1 0 0 0 0 50 55 2 0 0 0 0 49 56 2 0 0 0 0 49 29 1 0 0 0 0 50 30 1 0 0 0 0 25 57 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 59 1 0 0 0 0 63 65 1 0 0 0 0 62 66 1 0 0 0 0 61 67 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 73 68 1 0 0 0 0 72 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 79 74 1 0 0 0 0 78 80 1 0 0 0 0 79 81 1 0 0 0 0 77 82 1 0 0 0 0 73 83 1 0 0 0 0 68 84 1 0 0 0 0 69 85 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 86 1 0 0 0 0 86 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 89 95 1 0 0 0 0 90 96 1 0 0 0 0 91 97 1 0 0 0 0 98 99 2 0 0 0 0 99100 1 0 0 0 0 100101 2 0 0 0 0 101102 1 0 0 0 0 102103 2 0 0 0 0 103 98 1 0 0 0 0 101104 1 0 0 0 0 104105 2 0 0 0 0 105106 1 0 0 0 0 106107 2 0 0 0 0 107108 1 0 0 0 0 108109 2 0 0 0 0 109104 1 0 0 0 0 107110 1 0 0 0 0 106111 1 0 0 0 0 105112 1 0 0 0 0 100113 1 0 0 0 0 99114 1 0 0 0 0 98115 1 0 0 0 0 102116 1 0 0 0 0 109117 1 0 0 0 0 75118 1 0 0 0 0 118119 2 0 0 0 0 71120 1 0 0 0 0 120121 2 0 0 0 0 120 95 1 0 0 0 0 94118 1 0 0 0 0 117122 2 0 0 0 0 116123 2 0 0 0 0 116 96 1 0 0 0 0 117 97 1 0 0 0 0 92124 1 0 0 0 0 124125 2 0 0 0 0 124126 1 0 0 0 0 126127 2 0 0 0 0 127128 1 0 0 0 0 128129 2 0 0 0 0 129130 1 0 0 0 0 130131 2 0 0 0 0 131126 1 0 0 0 0 130132 1 0 0 0 0 129133 1 0 0 0 0 128134 1 0 0 0 0 135136 2 0 0 0 0 136137 1 0 0 0 0 137138 2 0 0 0 0 138139 1 0 0 0 0 139140 2 0 0 0 0 140135 1 0 0 0 0 139141 1 0 0 0 0 141142 2 0 0 0 0 142143 1 0 0 0 0 143144 2 0 0 0 0 144145 1 0 0 0 0 145146 2 0 0 0 0 146141 1 0 0 0 0 145147 1 0 0 0 0 146148 1 0 0 0 0 144149 1 0 0 0 0 140150 1 0 0 0 0 135151 1 0 0 0 0 136152 1 0 0 0 0 153154 1 0 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 157158 1 0 0 0 0 158153 1 0 0 0 0 153159 1 0 0 0 0 155160 1 0 0 0 0 160161 1 0 0 0 0 156162 1 0 0 0 0 157163 1 0 0 0 0 158164 1 0 0 0 0 165166 2 0 0 0 0 166167 1 0 0 0 0 167168 2 0 0 0 0 168169 1 0 0 0 0 169170 2 0 0 0 0 170165 1 0 0 0 0 168171 1 0 0 0 0 171172 2 0 0 0 0 172173 1 0 0 0 0 173174 2 0 0 0 0 174175 1 0 0 0 0 175176 2 0 0 0 0 176171 1 0 0 0 0 174177 1 0 0 0 0 173178 1 0 0 0 0 172179 1 0 0 0 0 167180 1 0 0 0 0 166181 1 0 0 0 0 165182 1 0 0 0 0 169183 1 0 0 0 0 176184 1 0 0 0 0 142185 1 0 0 0 0 185186 2 0 0 0 0 138187 1 0 0 0 0 187188 2 0 0 0 0 187162 1 0 0 0 0 161185 1 0 0 0 0 184189 2 0 0 0 0 183190 2 0 0 0 0 183163 1 0 0 0 0 184164 1 0 0 0 0 159191 1 0 0 0 0 191192 2 0 0 0 0 191193 1 0 0 0 0 193194 2 0 0 0 0 194195 1 0 0 0 0 195196 2 0 0 0 0 196197 1 0 0 0 0 197198 2 0 0 0 0 198193 1 0 0 0 0 197199 1 0 0 0 0 196200 1 0 0 0 0 195201 1 0 0 0 0 137 65 1 0 0 0 0 3132 1 0 0 0 0 M END > PHUB000737 > phytohub > OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C(OC4=CC(=CC(O)=C4O)C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C(OC7=CC(=CC(O)=C7O)C(=O)OC7OC8COC(=O)C9=C(C(O)=C(O)C(O)=C9)C9=C(O)C(O)=C(O)C=C9C(=O)OC8C8OC(=O)C9=CC(O)=C(O)C(O)=C9C9=C(O)C(O)=C(O)C=C9C(=O)OC78)=C6C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12 > InChI=1/C123H80O78/c124-33-1-20(2-34(125)66(33)138)106(167)199-121-104-101(194-114(175)28-12-42(133)72(144)82(154)55(28)58-31(117(178)197-104)15-45(136)75(147)85(58)157)96-50(188-121)18-183-110(171)24-8-38(129)77(149)87(159)60(24)62-64(119(180)191-96)98(93(165)91(163)89(62)161)186-48-6-22(4-36(127)68(48)140)108(169)201-123-105-102(195-115(176)29-13-43(134)73(145)83(155)56(29)59-32(118(179)198-105)16-46(137)76(148)86(59)158)97-51(189-123)19-184-111(172)25-9-39(130)78(150)88(160)61(25)63-65(120(181)192-97)99(94(166)92(164)90(63)162)185-47-5-21(3-35(126)67(47)139)107(168)200-122-103-100(193-113(174)27-11-41(132)71(143)81(153)54(27)57-30(116(177)196-103)14-44(135)74(146)84(57)156)95-49(187-122)17-182-109(170)23-7-37(128)69(141)79(151)52(23)53-26(112(173)190-95)10-40(131)70(142)80(53)152/h1-16,49-51,95-97,100-105,121-166H,17-19H2 > KPIIQBZSYJKNLJ-UHFFFAOYNA-N > C123H80O78 > 2805.915 > 2804.229342936 > 61 > 281 > -1.9485912024282275 > 246.91709881538782 > 0 > 43 > 0 > 0 > 36-{5-[({7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl}oxy)carbonyl]-2,3-dihydroxyphenoxy}-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3-{[7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyloxy)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoate > 4.42 > 10.276531254333333 > -2.54 > 1 > -2 > 24 > -3 > 7.321515106494404 > 6.924097751075823 > -6.413861922756077 > 1310.5400000000006 > 635.1137000000002 > 13 > 0 > 8.14e+00 g/l > 36-{5-[({7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl}oxy)carbonyl]-2,3-dihydroxyphenoxy}-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3-{[7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyloxy)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoate > 0 $$$$