| Properties | Image |
|---|
| MNX_ID | MNXM1131810 |
 |
| reference | lipidmapsM:LMST01010424 |
| formula | C29H46O9 |
| global charge | 0 |
| mol weight | 538.678 |
| InChIKey | JSZPYTWGCGPQIT-MWPSDTLYSA-N |
| InChI | InChI=1S/C29H46O9/c1-15(30)38-23(8-9-25(2,3)35)28(6,36)22-7-10-29(37)17-12-18(31)16-11-19(32)20(33)13-26(16,4)24(17)21(34)14-27(22,29)5/h12,16,19-24,32-37H,7-11,13-14H2,1-6H3/t16-,19+,20-,21+,22-,23+,24+,26-,27+,28+,29+/m0/s1 |
| SMILES | CC(=O)O[C@H](CCC(C)(C)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]3[C@H](O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C29H46O9/c1-15(30)38-23(8-9-25(2,3)35)28(6,36)22-7-10-29(37)17-12-18(31)16-11-19(32)20(33)13-26(16,4)24(17)21(34)14-27(22,29)5/h12,16,19-24,32-37H,7-11,13-14H2,1-6H3/t16-,19+,20-,21+,22-,23+,24+,26-,27+,28+,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15](=[O:30])[O:38][C@H:23]([CH2:8][CH2:9][C:25]([CH3:2])([CH3:3])[OH:35])[C@@:28]([CH3:6])([C@H:22]1[CH2:7][CH2:10][C@@:29]2([OH:37])[C:17]3=[CH:12][C:18](=[O:31])[C@@H:16]4[CH2:11][C@@H:19]([OH:32])[C@@H:20]([OH:33])[CH2:13][C@:26]4([CH3:4])[C@H:24]3[C@H:21]([OH:34])[CH2:14][C@:27]12[CH3:5])[OH:36] |
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