| Properties | Image |
|---|
| MNX_ID | MNXM42190 |
 |
| reference | lipidmapsM:LMST05050021 |
| formula | C38H65NO9 |
| global charge | 0 |
| mol weight | 679.936 |
| InChIKey | RNKLRQYEPYNQHD-BXUSDLLZSA-N |
| InChI | InChI=1S/C38H65NO9/c1-9-22(19(2)3)11-10-20(4)30-27(47-36-31(39-21(5)41)34(45)35(46-8)28(18-40)48-36)17-25-29-24(13-15-38(25,30)7)37(6)14-12-23(42)16-26(37)32(43)33(29)44/h19-20,22-24,26-28,30-36,40,42-45H,9-18H2,1-8H3,(H,39,41)/t20-,22-,23-,24+,26-,27-,28-,30+,31-,32+,33-,34-,35-,36-,37-,38+/m1/s1 |
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]2NC(C)=O)CC2=C3[C@@H](O)[C@@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C38H65NO9/c1-9-22(19(2)3)11-10-20(4)30-27(47-36-31(39-21(5)41)34(45)35(46-8)28(18-40)48-36)17-25-29-24(13-15-38(25,30)7)37(6)14-12-23(42)16-26(37)32(43)33(29)44/h19-20,22-24,26-28,30-36,40,42-45H,9-18H2,1-8H3,(H,39,41)/t20-,22-,23-,24+,26-,27-,28-,30+,31-,32+,33-,34-,35-,36-,37-,38+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:9][C@H:22]([CH2:11][CH2:10][C@@H:20]([CH3:4])[C@H:30]1[C@H:27]([O:47][C@H:36]2[C@H:31]([N:39]=[C:21]([CH3:5])[OH:41])[C@@H:34]([OH:45])[C@H:35]([O:46][CH3:8])[C@@H:28]([CH2:18][OH:40])[O:48]2)[CH2:17][C:25]2=[C:29]3[C@H:24]([CH2:13][CH2:15][C@@:38]21[CH3:7])[C@@:37]1([CH3:6])[CH2:14][CH2:12][C@@H:23]([OH:42])[CH2:16][C@@H:26]1[C@H:32]([OH:43])[C@@H:33]3[OH:44])[CH:19]([CH3:2])[CH3:3] |
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