| Properties | Image |
|---|
| MNX_ID | MNXM1559153 |
 |
| reference | lipidmapsM:LMST01040290 |
| formula | C29H44O8 |
| global charge | 0 |
| mol weight | 520.663 |
| InChIKey | NEFYSBQJYCICOG-PXPORAFISA-N |
| InChI | InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15-,16+,17+,19+,21-,22+,23+,24-,26-,27-,28-,29-/m1/s1 |
| SMILES | C[C@H]1OC(=O)[C@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15-,16+,17+,19+,21-,22+,23+,24-,26-,27-,28-,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:14]1[C@H:16]([CH2:10][C@H:24]([C@@:28]([CH3:5])([C@H:23]2[CH2:7][CH2:9][C@@:29]3([OH:36])[C:18]4=[CH:11][C:20](=[O:30])[C@@H:19]5[CH2:12][C@@H:21]([OH:31])[C@@H:22]([OH:32])[CH2:13][C@:26]5([CH3:3])[C@H:17]4[CH2:6][CH2:8][C@:27]23[CH3:4])[OH:35])[OH:33])[C@@H:15]([CH3:2])[O:37][C:25]1=[O:34] |
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