| Properties | Image |
|---|
| MNX_ID | MNXM107670 |
 |
| reference | chebi:67851 |
| formula | C72H116O25 |
| global charge | 0 |
| mol weight | 1381.695 |
| InChIKey | NDKPFZJXDUTDOW-YEMYNBOPSA-N |
| InChI | InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(94-69-57(81)62(59(44(7)86-69)93-67(83)41(4)12-3)91-51(75)40-39-47-33-28-26-29-34-47)46(9)88-72(66)95-60-45(8)87-70-58(82)63(60)90-49(73)37-31-25-22-19-20-23-30-36-48(35-27-14-11-2)89-71-64(96-70)55(79)53(77)43(6)85-71/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41-,42-,43+,44-,45-,46-,48-,52-,53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64+,65+,66+,68-,69-,70-,71-,72-/m0/s1 |
| SMILES | CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@H]3OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O[C@H](O[C@H]2C)[C@@H]3O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C72H116O25/c1-10-13-15-16-17-18-21-24-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(94-69-57(81)62(59(44(7)86-69)93-67(83)41(4)12-3)91-51(75)40-39-47-33-28-26-29-34-47)46(9)88-72(66)95-60-45(8)87-70-58(82)63(60)90-49(73)37-31-25-22-19-20-23-30-36-48(35-27-14-11-2)89-71-64(96-70)55(79)53(77)43(6)85-71/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41-,42-,43+,44-,45-,46-,48-,52-,53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64+,65+,66+,68-,69-,70-,71-,72-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:10][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:24][CH2:32][CH2:38][C:50](=[O:74])[O:92][C@@H:66]1[C@H:65]([O:97][C@H:68]2[C@H:56]([OH:80])[C@H:54]([OH:78])[C@@H:52]([OH:76])[C@H:42]([CH3:5])[O:84]2)[C@@H:61]([O:94][C@H:69]2[C@H:57]([OH:81])[C@H:62]([O:91][C:51](/[CH:40]=[CH:39]/[C:47]3=[CH:33][CH:28]=[CH:26][CH:29]=[CH:34]3)=[O:75])[C@@H:59]([O:93][C:67]([C@@H:41]([CH3:4])[CH2:12][CH3:3])=[O:83])[C@H:44]([CH3:7])[O:86]2)[C@H:46]([CH3:9])[O:88][C@H:72]1[O:95][C@H:60]1[C@H:45]([CH3:8])[O:87][C@@H:70]2[C@H:58]([OH:82])[C@@H:63]1[O:90][C:49](=[O:73])[CH2:37][CH2:31][CH2:25][CH2:22][CH2:19][CH2:20][CH2:23][CH2:30][CH2:36][C@H:48]([CH2:35][CH2:27][CH2:14][CH2:11][CH3:2])[O:89][C@H:71]1[C@@H:64]([C@@H:55]([OH:79])[C@@H:53]([OH:77])[C@@H:43]([CH3:6])[O:85]1)[O:96]2 |
|