| Properties | Image |
|---|
| MNX_ID | MNXM106902 |
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| reference | chebi:71140 |
| formula | C49H95NO9 |
| global charge | 0 |
| mol weight | 842.297 |
| InChIKey | FIWWQKHPXWCNEV-YBWUOHGMSA-N |
| InChI | InChI=1S/C49H95NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-43(53)48(57)50-41(39-58-49-47(56)46(55)45(54)44(38-51)59-49)42(52)36-33-30-27-25-22-23-26-29-32-35-40(2)3/h33,36,40-47,49,51-56H,4-32,34-35,37-39H2,1-3H3,(H,50,57)/b36-33+/t41-,42+,43?,44+,45+,46-,47+,49+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C49H95NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-43(53)48(57)50-41(39-58-49-47(56)46(55)45(54)44(38-51)59-49)42(52)36-33-30-27-25-22-23-26-29-32-35-40(2)3/h33,36,40-47,49,51-56H,4-32,34-35,37-39H2,1-3H3,(H,50,57)/b36-33+/t41-,42+,43?,44+,45+,46-,47+,49+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:24][CH2:28][CH2:31][CH2:34][CH2:37][CH:43]([C:48](=[N:50][C@@H:41]([CH2:39][O:58][C@H:49]1[C@H:47]([OH:56])[C@@H:46]([OH:55])[C@H:45]([OH:54])[C@@H:44]([CH2:38][OH:51])[O:59]1)[C@@H:42](/[CH:36]=[CH:33]/[CH2:30][CH2:27][CH2:25][CH2:22][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][CH:40]([CH3:2])[CH3:3])[OH:52])[OH:57])[OH:53] |
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