Marvin 02271314012D 41 43 0 0 1 0 999 V2000 12.4642 -7.1226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1271 -7.6134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7985 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7601 -6.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0498 -7.1630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0625 -7.9831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7747 -8.3901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4851 -7.9703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7214 -6.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5450 -6.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9595 -5.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5530 -4.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7278 -4.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3153 -5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4908 -5.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9702 -4.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3322 -6.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6224 -7.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7839 -9.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2039 -8.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5003 -9.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2113 -9.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5096 -10.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9314 -9.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6424 -9.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3567 -9.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0676 -9.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7877 -9.5823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7976 -10.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0877 -10.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0974 -11.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4976 -9.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3875 -12.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3971 -12.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6870 -13.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5176 -10.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6970 -14.1434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9869 -14.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9968 -15.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4169 -14.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3521 -8.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 14 15 1 0 0 0 0 5 6 1 0 0 0 0 12 16 1 0 0 0 0 6 7 1 0 0 0 0 5 17 1 1 0 0 0 7 8 1 0 0 0 0 17 18 1 0 0 0 0 8 1 1 0 0 0 0 6 41 1 6 0 0 0 4 5 1 0 0 0 0 7 19 1 1 0 0 0 1 2 1 6 0 0 0 8 20 1 6 0 0 0 9 10 2 0 0 0 0 21 22 1 0 0 0 0 19 21 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 10 11 1 0 0 0 0 26 27 1 0 0 0 0 2 3 1 0 0 0 0 27 28 1 0 0 0 0 11 12 2 0 0 0 0 28 29 1 0 0 0 0 3 10 1 0 0 0 0 29 30 2 0 0 0 0 12 13 1 0 0 0 0 30 31 1 0 0 0 0 28 32 1 6 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 29 36 1 0 0 0 0 9 1 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 13 14 2 0 0 0 0 38 39 1 0 0 0 0 37 40 1 1 0 0 0 14 9 1 0 0 0 0 M END > CHEBI:72630 > papulacandin D > A papulacandin that is papulacandin A in which the 6-O-acylgalactosyl group is replaced by a hydrogen. It is a carbohydrate-containing antibiotic from the deuteromycetous fungus Papularia sphaerosperma which shows potent antifungal activity against Candida albicans. > 3 > papulacandin-D; (+)-papulacandin-D; (+)-papulacandin D > (1S,3'R,4'S,5'R,6'R)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[2-benzofuran-1,2'-pyran]-4'-yl (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate > C31H42O10 > 574.65920 > 574.27780 > 0 > CC[C@H](C)CC\C=C\C=C(/C)[C@@H](O)C\C=C\C=C\C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@]2(OCc3cc(O)cc(O)c23)[C@@H]1O > InChI=1S/C31H42O10/c1-4-19(2)11-7-5-8-12-20(3)23(34)13-9-6-10-14-26(36)40-29-28(37)25(17-32)41-31(30(29)38)27-21(18-39-31)15-22(33)16-24(27)35/h5-6,8-10,12,14-16,19,23,25,28-30,32-35,37-38H,4,7,11,13,17-18H2,1-3H3/b8-5+,9-6+,14-10+,20-12+/t19-,23-,25+,28+,29-,30+,31-/m0/s1 > XKSZJTQIZHUMGA-HPZFVNCBSA-N > 61036-49-5 > 7239678 > 61036-49-5 > 17305346; 20711516; 7440418 $$$$