| Properties | Image |
|---|
| MNX_ID | MNXM1131841 |
 |
| reference | lipidmapsM:LMST01010455 |
| formula | C32H46O9 |
| global charge | 0 |
| mol weight | 574.711 |
| InChIKey | YXLPIHYAUVNQKP-KHUBYJRLSA-N |
| InChI | InChI=1S/C32H46O9/c1-16(33)41-27(2,3)11-10-22(37)32(9,40)25-21(36)14-29(6)24-19(34)12-17-18(13-20(35)26(39)28(17,4)5)31(24,8)23(38)15-30(25,29)7/h10-12,18-19,21,24-26,34,36,39-40H,13-15H2,1-9H3/b11-10+/t18-,19+,21-,24+,25+,26+,29+,30-,31-,32+/m1/s1 |
| SMILES | CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC(=O)[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C32H46O9/c1-16(33)41-27(2,3)11-10-22(37)32(9,40)25-21(36)14-29(6)24-19(34)12-17-18(13-20(35)26(39)28(17,4)5)31(24,8)23(38)15-30(25,29)7/h10-12,18-19,21,24-26,34,36,39-40H,13-15H2,1-9H3/b11-10+/t18-,19+,21-,24+,25+,26+,29+,30-,31-,32+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:16](=[O:33])[O:41][C:27]([CH3:2])([CH3:3])/[CH:11]=[CH:10]/[C:22]([C@@:32]([CH3:9])([C@H:25]1[C@H:21]([OH:36])[CH2:14][C@@:29]2([CH3:6])[C@@H:24]3[C@@H:19]([OH:34])[CH:12]=[C:17]4[C@@H:18]([CH2:13][C:20](=[O:35])[C@H:26]([OH:39])[C:28]4([CH3:4])[CH3:5])[C@:31]3([CH3:8])[C:23](=[O:38])[CH2:15][C@:30]12[CH3:7])[OH:40])=[O:37] |
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