| Properties | Image |
|---|
| MNX_ID | MNXM151659 |
 |
| reference | chebi:78305 |
| formula | C55H87N5O41 |
| global charge | 0 |
| mol weight | 1474.295 |
| InChIKey | OTKVNEDTPKWPFD-PFGYXDNQSA-N |
| InChI | InChI=1S/C55H87N5O41/c1-16(66)56-31-21(71)6-51(92,46(82)83)97-42(31)37(78)27(12-62)93-53(48(86)87)8-23(73)33(58-18(3)68)44(99-53)39(80)29(14-64)95-55(50(90)91)10-25(75)35(60-20(5)70)45(101-55)40(81)30(15-65)96-54(49(88)89)9-24(74)34(59-19(4)69)43(100-54)38(79)28(13-63)94-52(47(84)85)7-22(72)32(57-17(2)67)41(98-52)36(77)26(76)11-61/h21-45,61-65,71-81,92H,6-15H2,1-5H3,(H,56,66)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)/t21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,51+,52+,53+,54+,55+/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@@H]2O[C@@](O[C@H](CO)[C@@H](O)[C@@H]3O[C@@](O[C@H](CO)[C@@H](O)[C@@H]4O[C@@](O[C@H](CO)[C@@H](O)[C@@H]5O[C@@](O)(C(=O)O)C[C@H](O)[C@H]5NC(C)=O)(C(=O)O)C[C@H](O)[C@H]4NC(C)=O)(C(=O)O)C[C@H](O)[C@H]3NC(C)=O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C55H87N5O41/c1-16(66)56-31-21(71)6-51(92,46(82)83)97-42(31)37(78)27(12-62)93-53(48(86)87)8-23(73)33(58-18(3)68)44(99-53)39(80)29(14-64)95-55(50(90)91)10-25(75)35(60-20(5)70)45(101-55)40(81)30(15-65)96-54(49(88)89)9-24(74)34(59-19(4)69)43(100-54)38(79)28(13-63)94-52(47(84)85)7-22(72)32(57-17(2)67)41(98-52)36(77)26(76)11-61/h21-45,61-65,71-81,92H,6-15H2,1-5H3,(H,56,66)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)/t21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,51+,52+,53+,54+,55+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:16](=[N:56][C@@H:31]1[C@@H:21]([OH:71])[CH2:6][C@@:51]([C:46](=[O:82])[OH:83])([OH:92])[O:97][C@H:42]1[C@@H:37]([C@@H:27]([CH2:12][OH:62])[O:93][C@:53]1([C:48](=[O:86])[OH:87])[CH2:8][C@H:23]([OH:73])[C@@H:33]([N:58]=[C:18]([CH3:3])[OH:68])[C@H:44]([C@@H:39]([C@@H:29]([CH2:14][OH:64])[O:95][C@:55]2([C:50](=[O:90])[OH:91])[CH2:10][C@H:25]([OH:75])[C@@H:35]([N:60]=[C:20]([CH3:5])[OH:70])[C@H:45]([C@@H:40]([C@@H:30]([CH2:15][OH:65])[O:96][C@:54]3([C:49](=[O:88])[OH:89])[CH2:9][C@H:24]([OH:74])[C@@H:34]([N:59]=[C:19]([CH3:4])[OH:69])[C@H:43]([C@@H:38]([C@@H:28]([CH2:13][OH:63])[O:94][C@:52]4([C:47](=[O:84])[OH:85])[CH2:7][C@H:22]([OH:72])[C@@H:32]([N:57]=[C:17]([CH3:2])[OH:67])[C@H:41]([C@@H:36]([C@@H:26]([CH2:11][OH:61])[OH:76])[OH:77])[O:98]4)[OH:79])[O:100]3)[OH:81])[O:101]2)[OH:80])[O:99]1)[OH:78])[OH:66] |
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