| Properties | Image |
|---|
| MNX_ID | MNXM1131843 |
 |
| reference | lipidmapsM:LMST01010457 |
| formula | C32H48O10 |
| global charge | 0 |
| mol weight | 592.726 |
| InChIKey | JRWYAESVJOLYCQ-FBZMDERGSA-N |
| InChI | InChI=1S/C32H48O10/c1-17(33)42-27(2,3)13-12-22(35)32(9,41)25-20(34)15-29(6)21-11-10-18(28(4,5)26(39)40)19(14-24(37)38)31(21,8)23(36)16-30(25,29)7/h10,19-21,25,34,41H,11-16H2,1-9H3,(H,37,38)(H,39,40)/t19-,20-,21+,25+,29+,30-,31+,32+/m1/s1 |
| SMILES | CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C(C(C)(C)C(=O)O)[C@@H](CC(=O)O)[C@]3(C)C(=O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C32H48O10/c1-17(33)42-27(2,3)13-12-22(35)32(9,41)25-20(34)15-29(6)21-11-10-18(28(4,5)26(39)40)19(14-24(37)38)31(21,8)23(36)16-30(25,29)7/h10,19-21,25,34,41H,11-16H2,1-9H3,(H,37,38)(H,39,40)/t19-,20-,21+,25+,29+,30-,31+,32+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:17](=[O:33])[O:42][C:27]([CH3:2])([CH3:3])[CH2:13][CH2:12][C:22]([C@@:32]([CH3:9])([C@H:25]1[C@H:20]([OH:34])[CH2:15][C@@:29]2([CH3:6])[C@@H:21]3[CH2:11][CH:10]=[C:18]([C:28]([CH3:4])([CH3:5])[C:26](=[O:39])[OH:40])[C@@H:19]([CH2:14][C:24](=[O:37])[OH:38])[C@:31]3([CH3:8])[C:23](=[O:36])[CH2:16][C@:30]12[CH3:7])[OH:41])=[O:35] |
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