| Properties | Image |
|---|
| MNX_ID | MNXM33875 |
 |
| reference | lipidmapsM:LMST03020411 |
| formula | C29H46O4 |
| global charge | 0 |
| mol weight | 458.683 |
| InChIKey | RVRKNKJCAWZWEY-LOVJLTMUSA-N |
| InChI | InChI=1S/C29H46O4/c1-18(7-6-12-28(3,4)32)24-10-11-25-21(13-22(27-17-33-27)16-29(24,25)5)9-8-20-14-23(30)15-26(31)19(20)2/h8-9,18,22-27,30-32H,2,6-7,10-17H2,1,3-5H3/b20-8-,21-9+/t18-,22+,23-,24-,25+,26+,27+,29-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/C[C@H]([C@@H]3CO3)C[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C29H46O4/c1-18(7-6-12-28(3,4)32)24-10-11-25-21(13-22(27-17-33-27)16-29(24,25)5)9-8-20-14-23(30)15-26(31)19(20)2/h8-9,18,22-27,30-32H,2,6-7,10-17H2,1,3-5H3/b20-8-,21-9+/t18-,22+,23-,24-,25+,26+,27+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]([CH2:7][CH2:6][CH2:12][C:28]([CH3:3])([CH3:4])[OH:32])[C@H:24]1[CH2:10][CH2:11][C@H:25]2/[C:21](=[CH:9]/[CH:8]=[C:20]3/[CH2:14][C@@H:23]([OH:30])[CH2:15][C@H:26]([OH:31])[C:19]3=[CH2:2])[CH2:13][C@H:22]([C@@H:27]3[CH2:17][O:33]3)[CH2:16][C@:29]12[CH3:5] |
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