| Properties | Image |
|---|
| MNX_ID | MNXM1131875 |
 |
| reference | lipidmapsM:LMST01031154 |
| formula | C28H46O6 |
| global charge | 0 |
| mol weight | 478.67 |
| InChIKey | RSZNMUICZWIHIL-SFRSOKMYSA-N |
| InChI | InChI=1S/C28H46O6/c1-15(14-29)27(4,34)13-23(32)16(2)19-6-7-20-25-21(8-9-26(19,20)3)28(5)17(11-22(25)31)10-18(30)12-24(28)33/h11,16,18-25,29-34H,1,6-10,12-14H2,2-5H3/t16-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27?,28-/m0/s1 |
| SMILES | C=C(CO)C(C)(O)C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C28H46O6/c1-15(14-29)27(4,34)13-23(32)16(2)19-6-7-20-25-21(8-9-26(19,20)3)28(5)17(11-22(25)31)10-18(30)12-24(28)33/h11,16,18-25,29-34H,1,6-10,12-14H2,2-5H3/t16-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27?,28-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:15]([CH2:14][OH:29])[C:27]([CH3:4])([CH2:13][C@H:23]([C@@H:16]([CH3:2])[C@H:19]1[CH2:6][CH2:7][C@H:20]2[C@H:25]3[C@H:21]([CH2:8][CH2:9][C@:26]12[CH3:3])[C@:28]1([CH3:5])[C:17](=[CH:11][C@H:22]3[OH:31])[CH2:10][C@@H:18]([OH:30])[CH2:12][C@@H:24]1[OH:33])[OH:32])[OH:34] |
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