| Properties | Image |
|---|
| MNX_ID | MNXM1131953 |
 |
| reference | lipidmapsM:LMST01100018 |
| formula | C37H58O11 |
| global charge | 0 |
| mol weight | 678.86 |
| InChIKey | HMBXWIISEWSWQK-QMIZWMDOSA-N |
| InChI | InChI=1S/C37H58O11/c1-18(15-21(47-19(2)38)29(43)33(5,6)45)25-27(41)30(44)35(8)23-10-9-22-32(3,4)24(48-31-28(42)26(40)20(39)16-46-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h10,18,20-22,24-26,28-31,39-40,42-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28-,29-,30+,31+,34-,35-,36-,37+/m1/s1 |
| SMILES | CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](O)C(C)(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H58O11/c1-18(15-21(47-19(2)38)29(43)33(5,6)45)25-27(41)30(44)35(8)23-10-9-22-32(3,4)24(48-31-28(42)26(40)20(39)16-46-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h10,18,20-22,24-26,28-31,39-40,42-45H,9,11-17H2,1-8H3/t18-,20-,21-,22+,24+,25+,26+,28-,29-,30+,31+,34-,35-,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]([CH2:15][C@H:21]([C@H:29]([C:33]([CH3:5])([CH3:6])[OH:45])[OH:43])[O:47][C:19]([CH3:2])=[O:38])[C@H:25]1[C:27](=[O:41])[C@H:30]([OH:44])[C@@:35]2([CH3:8])[C:23]3=[CH:10][CH2:9][C@H:22]4[C:32]([CH3:3])([CH3:4])[C@@H:24]([O:48][C@H:31]5[C@H:28]([OH:42])[C@@H:26]([OH:40])[C@H:20]([OH:39])[CH2:16][O:46]5)[CH2:11][CH2:12][C@@:36]45[CH2:17][C@@:37]35[CH2:14][CH2:13][C@:34]12[CH3:7] |
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