| Properties | Image |
|---|
| MNX_ID | MNXM105773 |
 |
| reference | chebi:70319 |
| formula | C73H120O21 |
| global charge | 0 |
| mol weight | 1333.742 |
| InChIKey | FSDJTONUQZBFFY-QSAXEEFWSA-N |
| InChI | InChI=1S/C73H120O21/c1-8-11-14-16-18-20-24-28-36-43-54(74)88-63-49(5)84-71(67(60(63)80)91-57(77)47-46-52-39-33-31-34-40-52)92-64-50(6)85-72(68(61(64)81)89-55(75)44-37-29-25-21-19-17-15-12-9-2)93-65-51(7)86-73-69(62(65)82)90-56(76)45-38-30-26-22-23-27-35-42-53(41-32-13-10-3)87-70-66(94-73)59(79)58(78)48(4)83-70/h31,33-34,39-40,46-51,53,58-73,78-82H,8-30,32,35-38,41-45H2,1-7H3/b47-46+/t48-,49+,50+,51+,53+,58+,59+,60-,61-,62-,63+,64+,65+,66-,67-,68-,69-,70+,71+,72+,73+/m1/s1 |
| SMILES | CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](OC(=O)/C=C/C2=CC=CC=C2)[C@H](O[C@@H]2[C@@H](O)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](O[C@@H]3[C@@H](O)[C@H]4OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]3C)O[C@H]2C)O[C@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C73H120O21/c1-8-11-14-16-18-20-24-28-36-43-54(74)88-63-49(5)84-71(67(60(63)80)91-57(77)47-46-52-39-33-31-34-40-52)92-64-50(6)85-72(68(61(64)81)89-55(75)44-37-29-25-21-19-17-15-12-9-2)93-65-51(7)86-73-69(62(65)82)90-56(76)45-38-30-26-22-23-27-35-42-53(41-32-13-10-3)87-70-66(94-73)59(79)58(78)48(4)83-70/h31,33-34,39-40,46-51,53,58-73,78-82H,8-30,32,35-38,41-45H2,1-7H3/b47-46+/t48-,49+,50+,51+,53+,58+,59+,60-,61-,62-,63+,64+,65+,66-,67-,68-,69-,70+,71+,72+,73+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:11][CH2:14][CH2:16][CH2:18][CH2:20][CH2:24][CH2:28][CH2:36][CH2:43][C:54](=[O:74])[O:88][C@H:63]1[C@H:49]([CH3:5])[O:84][C@@H:71]([O:92][C@H:64]2[C@H:50]([CH3:6])[O:85][C@@H:72]([O:93][C@H:65]3[C@H:51]([CH3:7])[O:86][C@@H:73]4[C@@H:69]([C@@H:62]3[OH:82])[O:90][C:56](=[O:76])[CH2:45][CH2:38][CH2:30][CH2:26][CH2:22][CH2:23][CH2:27][CH2:35][CH2:42][C@H:53]([CH2:41][CH2:32][CH2:13][CH2:10][CH3:3])[O:87][C@H:70]3[C@@H:66]([C@@H:59]([OH:79])[C@@H:58]([OH:78])[C@@H:48]([CH3:4])[O:83]3)[O:94]4)[C@H:68]([O:89][C:55]([CH2:44][CH2:37][CH2:29][CH2:25][CH2:21][CH2:19][CH2:17][CH2:15][CH2:12][CH2:9][CH3:2])=[O:75])[C@@H:61]2[OH:81])[C@H:67]([O:91][C:57](/[CH:47]=[CH:46]/[C:52]2=[CH:39][CH:33]=[CH:31][CH:34]=[CH:40]2)=[O:77])[C@@H:60]1[OH:80] |
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