| Properties | Image |
|---|
| MNX_ID | MNXM106950 |
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| reference | chebi:71134 |
| formula | C48H93NO9 |
| global charge | 0 |
| mol weight | 828.27 |
| InChIKey | CXCZMCIMDNFMSO-HUPAPQMDSA-N |
| InChI | InChI=1S/C48H93NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-42(52)47(56)49-40(38-57-48-46(55)45(54)44(53)43(37-50)58-48)41(51)35-32-29-26-24-21-22-25-28-31-34-39(2)3/h32,35,39-46,48,50-55H,4-31,33-34,36-38H2,1-3H3,(H,49,56)/b35-32+/t40-,41+,42?,43+,44+,45-,46+,48+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(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/C48H93NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-42(52)47(56)49-40(38-57-48-46(55)45(54)44(53)43(37-50)58-48)41(51)35-32-29-26-24-21-22-25-28-31-34-39(2)3/h32,35,39-46,48,50-55H,4-31,33-34,36-38H2,1-3H3,(H,49,56)/b35-32+/t40-,41+,42?,43+,44+,45-,46+,48+/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][CH2:23][CH2:27][CH2:30][CH2:33][CH2:36][CH:42]([C:47](=[N:49][C@@H:40]([CH2:38][O:57][C@H:48]1[C@H:46]([OH:55])[C@@H:45]([OH:54])[C@H:44]([OH:53])[C@@H:43]([CH2:37][OH:50])[O:58]1)[C@@H:41](/[CH:35]=[CH:32]/[CH2:29][CH2:26][CH2:24][CH2:21][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH:39]([CH3:2])[CH3:3])[OH:51])[OH:56])[OH:52] |
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