| Properties | Image |
|---|
| MNX_ID | MNXM737336 |
 |
| reference | chebi:18195 |
| formula | C76H142O15 |
| global charge | 0 |
| mol weight | 1295.957 |
| InChIKey | VTTNQXWXPJHFRB-DJPNOUAQSA-N |
| InChI | InChI=1S/C76H142O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,61-72,75-84H,5-24,27-28,31-60H2,1-4H3/b29-25+,30-26+/t61?,62?,63?,64?,65-,66-,67-,68-,69+,70+,71-,72-,75-,76-/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCC)C(O)CCCCCCC/C=C/CCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C76H142O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,61-72,75-84H,5-24,27-28,31-60H2,1-4H3/b29-25+,30-26+/t61?,62?,63?,64?,65-,66-,67-,68-,69+,70+,71-,72-,75-,76-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21]/[CH:25]=[CH:29]/[CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][CH:63]([CH:61]([CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])[C:73](=[O:85])[O:87][CH2:59][C@@H:65]1[C@@H:67]([OH:79])[C@H:69]([OH:81])[C@@H:71]([OH:83])[C@@H:75]([O:91][C@@H:76]2[C@H:72]([OH:84])[C@@H:70]([OH:82])[C@H:68]([OH:80])[C@@H:66]([CH2:60][O:88][C:74]([CH:62]([CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])[CH:64]([CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34]/[CH:30]=[CH:26]/[CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])[OH:78])=[O:86])[O:90]2)[O:89]1)[OH:77] |
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