lambertianin B.cdx Mrv2104 06072104252D 123137 0 0 0 0 999 V2000 11.2325 -12.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0378 -13.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6348 -13.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4264 -13.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6211 -12.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0241 -12.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4127 -12.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0097 -13.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8013 -12.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9959 -12.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3990 -11.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6073 -11.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5936 -10.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0104 -11.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7876 -11.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0046 -11.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6355 -11.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2462 -13.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7560 -17.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9506 -16.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2288 -16.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7991 -15.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6044 -16.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3262 -16.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0569 -18.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6243 -15.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1950 -14.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9974 -15.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0615 -16.0377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7568 -17.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2757 -16.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0810 -17.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6780 -17.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4696 -17.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6643 -16.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0673 -16.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0666 -18.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8720 -18.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4690 -19.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2606 -19.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4552 -18.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8583 -17.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8576 -19.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2743 -20.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1674 -19.3471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2825 -18.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2894 -17.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6787 -15.8384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 -16.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2087 -17.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5610 -13.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7362 -13.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3573 -14.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6211 -14.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8887 -16.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4754 -17.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0008 -19.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6633 -19.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8214 -18.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3047 -19.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1254 -19.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4628 -18.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9796 -18.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1589 -18.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3170 -17.3915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2835 -18.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6087 -20.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6428 -9.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4491 -10.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0467 -10.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 -10.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0318 -9.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4342 -9.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8232 -9.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 -10.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2122 -9.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4059 -9.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -8.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0169 -8.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0021 -7.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4193 -8.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1973 -8.8635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4138 -8.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0452 -8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 -10.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1719 -14.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3657 -13.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6434 -13.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 -12.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0192 -13.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7414 -13.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1418 -14.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0381 -12.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6081 -11.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4111 -12.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 -13.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1727 -14.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6905 -13.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 -14.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0943 -14.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8857 -14.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0794 -13.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4818 -13.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4833 -15.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2895 -15.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8871 -16.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6785 -16.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 -15.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 -14.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2761 -16.8810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6933 -17.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5854 -16.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6996 -15.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7053 -14.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0929 -12.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -13.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6247 -14.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9729 -10.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1481 -10.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7698 -11.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0337 -11.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 -13.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8912 -14.3956 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 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 25 19 1 0 0 0 0 92 3 1 0 0 0 0 M END > PHUB000736 > 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(OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C=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/C75H50O48/c76-20-1-12(2-21(77)40(20)85)65(103)123-75-64-62(119-70(108)17-7-26(82)44(89)51(96)34(17)36-19(72(110)121-64)9-28(84)46(91)53(36)98)59-30(115-75)11-113-67(105)14-4-23(79)47(92)54(99)37(14)38-39(73(111)117-59)60(57(102)56(101)55(38)100)122-74-63-61(118-69(107)16-6-25(81)43(88)50(95)33(16)35-18(71(109)120-63)8-27(83)45(90)52(35)97)58-29(114-74)10-112-66(104)13-3-22(78)41(86)48(93)31(13)32-15(68(106)116-58)5-24(80)42(87)49(32)94/h1-9,29-30,58-59,61-64,74-102H,10-11H2 > MFFFFOUPJAFCQB-UHFFFAOYNA-N > C75H50O48 > 1719.177 > 1718.14715337 > 39 > 173 > -1.756741357777638 > 151.75628712163302 > 0 > 27 > 0 > 0 > 36-({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)-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 3,4,5-trihydroxybenzoate > 3.80 > 5.853180503999999 > -2.41 > 0 > -2 > 15 > -3 > 7.519428089831057 > 7.150271105457568 > -5.199822152075522 > 810.6000000000005 > 388.2437999999997 > 5 > 0 > 6.62e+00 g/l > 36-({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)-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 3,4,5-trihydroxybenzoate > 0 $$$$