| Properties | Image |
|---|
| MNX_ID | MNXM525677 |
 |
| reference | slm:000487160 |
| formula | C69H115N4O37 |
| global charge | -3 |
| mol weight | 1592.67 |
| InChIKey | KFCRVUNOJXOWHA-MTWIDZJISA-K |
| InChI | InChI=1S/C69H118N4O37/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-22-37(82)36(73-46(87)23-20-9-7-2)32-101-62-55(93)54(92)57(45(31-78)103-62)104-63-56(94)61(51(89)42(28-75)102-63)110-69(66(99)100)26-40(85)49(72-35(5)81)60(109-69)53(91)44(30-77)106-68(65(97)98)25-39(84)48(71-34(4)80)59(108-68)52(90)43(29-76)105-67(64(95)96)24-38(83)47(70-33(3)79)58(107-67)50(88)41(86)27-74/h21-22,36-45,47-63,74-78,82-86,88-94H,6-20,23-32H2,1-5H3,(H,70,79)(H,71,80)(H,72,81)(H,73,87)(H,95,96)(H,97,98)(H,99,100)/p-3/b22-21+/t36-,37+,38-,39-,40-,41+,42+,43+,44+,45+,47+,48+,49+,50+,51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61-,62+,63-,67+,68+,69-/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](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)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)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H118N4O37/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-22-37(82)36(73-46(87)23-20-9-7-2)32-101-62-55(93)54(92)57(45(31-78)103-62)104-63-56(94)61(51(89)42(28-75)102-63)110-69(66(99)100)26-40(85)49(72-35(5)81)60(109-69)53(91)44(30-77)106-68(65(97)98)25-39(84)48(71-34(4)80)59(108-68)52(90)43(29-76)105-67(64(95)96)24-38(83)47(70-33(3)79)58(107-67)50(88)41(86)27-74/h21-22,36-45,47-63,74-78,82-86,88-94H,6-20,23-32H2,1-5H3,(H,70,79)(H,71,80)(H,72,81)(H,73,87)(H,95,96)(H,97,98)(H,99,100)/b22-21+/t36-,37+,38-,39-,40-,41+,42+,43+,44+,45+,47+,48+,49+,50+,51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61-,62+,63-,67+,68+,69-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]/[CH:21]=[CH:22]/[C@H:37]([C@H:36]([CH2:32][O:101][C@H:62]1[C@H:55]([OH:93])[C@@H:54]([OH:92])[C@H:57]([O:104][C@H:63]2[C@H:56]([OH:94])[C@@H:61]([O:110][C@:69]3([C:66](=[O:99])[OH:100])[CH2:26][C@H:40]([OH:85])[C@@H:49]([N:72]=[C:35]([CH3:5])[OH:81])[C@H:60]([C@@H:53]([C@@H:44]([CH2:30][OH:77])[O:106][C@:68]4([C:65](=[O:97])[OH:98])[CH2:25][C@H:39]([OH:84])[C@@H:48]([N:71]=[C:34]([CH3:4])[OH:80])[C@H:59]([C@@H:52]([C@@H:43]([CH2:29][OH:76])[O:105][C@:67]5([C:64](=[O:95])[OH:96])[CH2:24][C@H:38]([OH:83])[C@@H:47]([N:70]=[C:33]([CH3:3])[OH:79])[C@H:58]([C@@H:50]([C@@H:41]([CH2:27][OH:74])[OH:86])[OH:88])[O:107]5)[OH:90])[O:108]4)[OH:91])[O:109]3)[C@@H:51]([OH:89])[C@@H:42]([CH2:28][OH:75])[O:102]2)[C@@H:45]([CH2:31][OH:78])[O:103]1)[N:73]=[C:46]([CH2:23][CH2:20][CH2:9][CH2:7][CH3:2])[OH:87])[OH:82] |
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