| Properties | Image |
|---|
| MNX_ID | MNXM1132118 |
 |
| reference | lipidmapsM:LMST05050040 |
| formula | C34H56O10 |
| global charge | 0 |
| mol weight | 624.812 |
| InChIKey | HIIKKCBWJRFJBP-HYMVMEEQSA-N |
| InChI | InChI=1S/C34H56O10/c1-17(19(3)15-35)7-8-18(2)25-27(39)28(40)30-33(25,5)12-10-24-32(4)11-9-20(13-21(32)22(36)14-34(24,30)41)44-31-29(42-6)26(38)23(37)16-43-31/h13,18-20,22-31,35-41H,1,7-12,14-16H2,2-6H3/t18-,19-,20+,22-,23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+/m1/s1 |
| SMILES | C=C(CC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(O)C[C@@H](O)C2=C[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC)CC[C@@]21C)[C@H](C)CO |
MNX internals
| InChI (mnx) | InChI=1/C34H56O10/c1-17(19(3)15-35)7-8-18(2)25-27(39)28(40)30-33(25,5)12-10-24-32(4)11-9-20(13-21(32)22(36)14-34(24,30)41)44-31-29(42-6)26(38)23(37)16-43-31/h13,18-20,22-31,35-41H,1,7-12,14-16H2,2-6H3/t18-,19-,20+,22-,23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:17]([CH2:7][CH2:8][C@@H:18]([CH3:2])[C@H:25]1[C@@H:27]([OH:39])[C@H:28]([OH:40])[C@@H:30]2[C@:33]1([CH3:5])[CH2:12][CH2:10][C@@H:24]1[C@@:32]3([CH3:4])[CH2:11][CH2:9][C@H:20]([O:44][C@H:31]4[C@H:29]([O:42][CH3:6])[C@@H:26]([OH:38])[C@H:23]([OH:37])[CH2:16][O:43]4)[CH:13]=[C:21]3[C@H:22]([OH:36])[CH2:14][C@:34]12[OH:41])[C@H:19]([CH3:3])[CH2:15][OH:35] |
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