| Properties | Image |
|---|
| MNX_ID | MNXM523609 |
 |
| reference | slm:000486571 |
| formula | C58H100N3O31 |
| global charge | -1 |
| mol weight | 1335.428 |
| InChIKey | MZAXRQINFQEFBN-GATAYHQASA-M |
| InChI | InChI=1S/C58H101N3O31/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-30(69)29(61-37(72)6-2)26-83-54-45(78)43(76)49(35(24-65)86-54)89-55-46(79)44(77)48(36(25-66)87-55)88-53-39(60-28(4)68)50(41(74)33(22-63)84-53)90-56-47(80)52(42(75)34(23-64)85-56)92-58(57(81)82)20-31(70)38(59-27(3)67)51(91-58)40(73)32(71)21-62/h18-19,29-36,38-56,62-66,69-71,73-80H,5-17,20-26H2,1-4H3,(H,59,67)(H,60,68)(H,61,72)(H,81,82)/p-1/b19-18+/t29-,30+,31-,32+,33+,34+,35+,36+,38+,39+,40+,41-,42-,43+,44+,45+,46+,47+,48-,49+,50+,51+,52-,53-,54+,55-,56-,58-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C58H101N3O31/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-30(69)29(61-37(72)6-2)26-83-54-45(78)43(76)49(35(24-65)86-54)89-55-46(79)44(77)48(36(25-66)87-55)88-53-39(60-28(4)68)50(41(74)33(22-63)84-53)90-56-47(80)52(42(75)34(23-64)85-56)92-58(57(81)82)20-31(70)38(59-27(3)67)51(91-58)40(73)32(71)21-62/h18-19,29-36,38-56,62-66,69-71,73-80H,5-17,20-26H2,1-4H3,(H,59,67)(H,60,68)(H,61,72)(H,81,82)/b19-18+/t29-,30+,31-,32+,33+,34+,35+,36+,38+,39+,40+,41-,42-,43+,44+,45+,46+,47+,48-,49+,50+,51+,52-,53-,54+,55-,56-,58-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:30]([C@H:29]([CH2:26][O:83][C@H:54]1[C@H:45]([OH:78])[C@@H:43]([OH:76])[C@H:49]([O:89][C@H:55]2[C@H:46]([OH:79])[C@@H:44]([OH:77])[C@@H:48]([O:88][C@H:53]3[C@H:39]([N:60]=[C:28]([CH3:4])[OH:68])[C@@H:50]([O:90][C@H:56]4[C@H:47]([OH:80])[C@@H:52]([O:92][C@:58]5([C:57](=[O:81])[OH:82])[CH2:20][C@H:31]([OH:70])[C@@H:38]([N:59]=[C:27]([CH3:3])[OH:67])[C@H:51]([C@@H:40]([C@@H:32]([CH2:21][OH:62])[OH:71])[OH:73])[O:91]5)[C@@H:42]([OH:75])[C@@H:34]([CH2:23][OH:64])[O:85]4)[C@@H:41]([OH:74])[C@@H:33]([CH2:22][OH:63])[O:84]3)[C@@H:36]([CH2:25][OH:66])[O:87]2)[C@@H:35]([CH2:24][OH:65])[O:86]1)[N:61]=[C:37]([CH2:6][CH3:2])[OH:72])[OH:69] |
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