| Properties | Image |
|---|
| MNX_ID | MNXM12438 |
 |
| reference | metacycM:CPD-13452 |
| formula | C36H53O58S9 |
| global charge | -9 |
| mol weight | 1702.365 |
| InChIKey | XCAVJOBVNSMNME-WRUHAMNASA-E |
| InChI | InChI=1S/C36H62O58S9/c37-1-7-14(41)22(28(31(47)78-7)92-101(66,67)68)86-33-26(90-99(60,61)62)18(45)20(11(82-33)5-76-96(51,52)53)84-36-30(94-103(72,73)74)24(16(43)9(3-39)80-36)88-34-27(91-100(63,64)65)19(46)21(12(83-34)6-77-97(54,55)56)85-35-29(93-102(69,70)71)23(15(42)8(2-38)79-35)87-32-25(89-98(57,58)59)17(44)13(40)10(81-32)4-75-95(48,49)50/h7-47H,1-6H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)/p-9/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30-,31?,32-,33-,34-,35+,36+/m1/s1 |
| SMILES | O=S(=O)([O-])OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@@H](O[C@H]6[C@@H](O)[C@@H](CO)OC(O)[C@@H]6OS(=O)(=O)[O-])O[C@@H]5COS(=O)(=O)[O-])[C@@H]4OS(=O)(=O)[O-])O[C@@H]3COS(=O)(=O)[O-])[C@@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H62O58S9/c37-1-7-14(41)22(28(31(47)78-7)92-101(66,67)68)86-33-26(90-99(60,61)62)18(45)20(11(82-33)5-76-96(51,52)53)84-36-30(94-103(72,73)74)24(16(43)9(3-39)80-36)88-34-27(91-100(63,64)65)19(46)21(12(83-34)6-77-97(54,55)56)85-35-29(93-102(69,70)71)23(15(42)8(2-38)79-35)87-32-25(89-98(57,58)59)17(44)13(40)10(81-32)4-75-95(48,49)50/h7-47H,1-6H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30-,31?,32-,33-,34-,35+,36+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:7]1[C@H:14]([OH:41])[C@H:22]([O:86][C@@H:33]2[C@H:26]([O:90][S:99]([OH:60])(=[O:61])=[O:62])[C@@H:18]([OH:45])[C@@H:20]([O:84][C@H:36]3[C@H:30]([O:94][S:103]([OH:72])(=[O:73])=[O:74])[C@@H:24]([O:88][C@@H:34]4[C@H:27]([O:91][S:100]([OH:63])(=[O:64])=[O:65])[C@@H:19]([OH:46])[C@@H:21]([O:85][C@H:35]5[C@H:29]([O:93][S:102]([OH:69])(=[O:70])=[O:71])[C@@H:23]([O:87][C@@H:32]6[C@H:25]([O:89][S:98]([OH:57])(=[O:58])=[O:59])[C@@H:17]([OH:44])[C@@H:13]([OH:40])[C@@H:10]([CH2:4][O:75][S:95]([OH:48])(=[O:49])=[O:50])[O:81]6)[C@@H:15]([OH:42])[C@@H:8]([CH2:2][OH:38])[O:79]5)[C@@H:12]([CH2:6][O:77][S:97]([OH:54])(=[O:55])=[O:56])[O:83]4)[C@@H:16]([OH:43])[C@@H:9]([CH2:3][OH:39])[O:80]3)[C@@H:11]([CH2:5][O:76][S:96]([OH:51])(=[O:52])=[O:53])[O:82]2)[C@@H:28]([O:92][S:101]([OH:66])(=[O:67])=[O:68])[CH:31]([OH:47])[O:78]1)[OH:37] |
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