| Properties | Image |
|---|
| MNX_ID | MNXM105774 |
 |
| reference | chebi:70320 |
| formula | C71H116O21 |
| global charge | 0 |
| mol weight | 1305.688 |
| InChIKey | SUNFNBPOXNNWGR-RQSNGXSLSA-N |
| InChI | InChI=1S/C71H116O21/c1-8-11-14-16-18-19-23-27-34-41-52(72)86-61-47(5)83-70(66(58(61)78)89-55(75)45-44-50-37-31-29-32-38-50)90-62-48(6)84-71(67(59(62)79)88-54(74)43-36-26-21-17-15-12-9-2)91-63-49(7)82-68-60(80)64(63)87-53(73)42-35-28-24-20-22-25-33-40-51(39-30-13-10-3)85-69-65(92-68)57(77)56(76)46(4)81-69/h29,31-32,37-38,44-49,51,56-71,76-80H,8-28,30,33-36,39-43H2,1-7H3/b45-44+/t46-,47+,48+,49+,51+,56+,57+,58-,59-,60-,61+,62+,63+,64+,65-,66-,67-,68+,69+,70+,71+/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)CCCCCCCCC)[C@H](O[C@@H]3[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](O[C@H]3C)[C@@H]4O)O[C@H]2C)O[C@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C71H116O21/c1-8-11-14-16-18-19-23-27-34-41-52(72)86-61-47(5)83-70(66(58(61)78)89-55(75)45-44-50-37-31-29-32-38-50)90-62-48(6)84-71(67(59(62)79)88-54(74)43-36-26-21-17-15-12-9-2)91-63-49(7)82-68-60(80)64(63)87-53(73)42-35-28-24-20-22-25-33-40-51(39-30-13-10-3)85-69-65(92-68)57(77)56(76)46(4)81-69/h29,31-32,37-38,44-49,51,56-71,76-80H,8-28,30,33-36,39-43H2,1-7H3/b45-44+/t46-,47+,48+,49+,51+,56+,57+,58-,59-,60-,61+,62+,63+,64+,65-,66-,67-,68+,69+,70+,71+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:11][CH2:14][CH2:16][CH2:18][CH2:19][CH2:23][CH2:27][CH2:34][CH2:41][C:52](=[O:72])[O:86][C@H:61]1[C@H:47]([CH3:5])[O:83][C@@H:70]([O:90][C@H:62]2[C@H:48]([CH3:6])[O:84][C@@H:71]([O:91][C@H:63]3[C@H:49]([CH3:7])[O:82][C@@H:68]4[C@H:60]([OH:80])[C@@H:64]3[O:87][C:53](=[O:73])[CH2:42][CH2:35][CH2:28][CH2:24][CH2:20][CH2:22][CH2:25][CH2:33][CH2:40][C@H:51]([CH2:39][CH2:30][CH2:13][CH2:10][CH3:3])[O:85][C@H:69]3[C@@H:65]([C@@H:57]([OH:77])[C@@H:56]([OH:76])[C@@H:46]([CH3:4])[O:81]3)[O:92]4)[C@H:67]([O:88][C:54]([CH2:43][CH2:36][CH2:26][CH2:21][CH2:17][CH2:15][CH2:12][CH2:9][CH3:2])=[O:74])[C@@H:59]2[OH:79])[C@H:66]([O:89][C:55](/[CH:45]=[CH:44]/[C:50]2=[CH:37][CH:31]=[CH:29][CH:32]=[CH:38]2)=[O:75])[C@@H:58]1[OH:78] |
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