| Properties | Image |
|---|
| MNX_ID | MNXM1112447 |
 |
| reference | metacycM:CPD-21522 |
| formula | C43H64O34 |
| global charge | -2 |
| mol weight | 1124.951 |
| InChIKey | OUPARBBCHBHSIL-OBXBUJCHSA-L |
| InChI | InChI=1S/C43H66O34/c1-9-16(48)28(24(56)39(64-9)71-26-10(2)65-40(25(57)32(26)66-11(3)46)72-29-17(49)13(6-44)68-36(60)23(29)55)73-41-34(67-12(4)47)30(18(50)14(7-45)69-41)74-38-22(54)20(52)31(33(76-38)35(58)59)75-37-21(53)19(51)27-15(70-37)8-63-43(5,77-27)42(61)62/h9-10,13-34,36-41,44-45,48-57,60H,6-8H2,1-5H3,(H,58,59)(H,61,62)/p-2/t9-,10-,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25-,26+,27-,28+,29-,30-,31-,32-,33-,34+,36+,37+,38+,39-,40-,41+,43+/m0/s1 |
| SMILES | CC(=O)O[C@H]1[C@@H](O[C@H]2[C@H](O)[C@H](O[C@H]3[C@@H](OC(C)=O)[C@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](O)O[C@H](CO)[C@H]4O)O[C@H]3C)O[C@@H](C)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O[C@H]2O[C@@H]3CO[C@@](C)(C(=O)[O-])O[C@@H]3[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C43H66O34/c1-9-16(48)28(24(56)39(64-9)71-26-10(2)65-40(25(57)32(26)66-11(3)46)72-29-17(49)13(6-44)68-36(60)23(29)55)73-41-34(67-12(4)47)30(18(50)14(7-45)69-41)74-38-22(54)20(52)31(33(76-38)35(58)59)75-37-21(53)19(51)27-15(70-37)8-63-43(5,77-27)42(61)62/h9-10,13-34,36-41,44-45,48-57,60H,6-8H2,1-5H3,(H,58,59)(H,61,62)/t9-,10-,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25-,26+,27-,28+,29-,30-,31-,32-,33-,34+,36+,37+,38+,39-,40-,41+,43+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:9]1[C@@H:16]([OH:48])[C@@H:28]([O:73][C@@H:41]2[C@H:34]([O:67][C:12]([CH3:4])=[O:47])[C@@H:30]([O:74][C@H:38]3[C@H:22]([OH:54])[C@@H:20]([OH:52])[C@H:31]([O:75][C@@H:37]4[C@H:21]([OH:53])[C@@H:19]([OH:51])[C@@H:27]5[C@@H:15]([CH2:8][O:63][C@@:43]([CH3:5])([C:42](=[O:61])[OH:62])[O:77]5)[O:70]4)[C@@H:33]([C:35](=[O:58])[OH:59])[O:76]3)[C@@H:18]([OH:50])[C@@H:14]([CH2:7][OH:45])[O:69]2)[C@H:24]([OH:56])[C@H:39]([O:71][C@@H:26]2[C@H:10]([CH3:2])[O:65][C@@H:40]([O:72][C@H:29]3[C@H:17]([OH:49])[C@@H:13]([CH2:6][OH:44])[O:68][C@@H:36]([OH:60])[C@@H:23]3[OH:55])[C@@H:25]([OH:57])[C@@H:32]2[O:66][C:11]([CH3:3])=[O:46])[O:64]1 |
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