| Properties | Image |
|---|
| MNX_ID | MNXM1131811 |
 |
| reference | lipidmapsM:LMST01010425 |
| formula | C30H48O8 |
| global charge | 0 |
| mol weight | 536.706 |
| InChIKey | QGINLTGTQDHLBO-TVDJDKAKSA-N |
| InChI | InChI=1S/C30H48O8/c1-25(2,35)10-9-23-29(7,38-26(3,4)37-23)22-8-11-30(36)17-13-18(31)16-12-19(32)20(33)14-27(16,5)24(17)21(34)15-28(22,30)6/h13,16,19-24,32-36H,8-12,14-15H2,1-7H3/t16-,19+,20-,21+,22-,23+,24+,27-,28+,29+,30+/m0/s1 |
| SMILES | CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[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/C30H48O8/c1-25(2,35)10-9-23-29(7,38-26(3,4)37-23)22-8-11-30(36)17-13-18(31)16-12-19(32)20(33)14-27(16,5)24(17)21(34)15-28(22,30)6/h13,16,19-24,32-36H,8-12,14-15H2,1-7H3/t16-,19+,20-,21+,22-,23+,24+,27-,28+,29+,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]([CH3:2])([CH2:10][CH2:9][C@@H:23]1[C@@:29]([CH3:7])([C@H:22]2[CH2:8][CH2:11][C@@:30]3([OH:36])[C:17]4=[CH:13][C:18](=[O:31])[C@@H:16]5[CH2:12][C@@H:19]([OH:32])[C@@H:20]([OH:33])[CH2:14][C@:27]5([CH3:5])[C@H:24]4[C@H:21]([OH:34])[CH2:15][C@:28]23[CH3:6])[O:38][C:26]([CH3:3])([CH3:4])[O:37]1)[OH:35] |
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