| Properties | Image |
| MNX_ID | MNXM38441 |
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| reference | lipidmapsM:LMST01010132 |
| formula | C27H46O3 |
| global charge | 0 |
| mol weight | 418.662 |
| InChIKey | WHTLPCXFTUAFRL-NFRXNIEZSA-N |
| InChI | InChI=1S/C27H46O3/c1-16(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h16-22,24,28-30H,6-15H2,1-5H3/t17-,18+,19+,20-,21+,22+,24+,26-,27-/m1/s1 |
| SMILES | CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(O)=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H46O3/c1-16(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h16-22,24,28-30H,6-15H2,1-5H3/t17-,18+,19+,20-,21+,22+,24+,26-,27-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[C@H:24]([CH2:9][CH2:6][C@@H:17]([CH3:3])[C@H:20]1[CH2:7][CH2:8][C@H:21]2[C@@H:19]3[CH2:15][C:25]([OH:30])=[C:23]4[CH2:14][C@@H:18]([OH:28])[CH2:10][CH2:12][C@:27]4([CH3:5])[C@H:22]3[CH2:11][CH2:13][C@:26]12[CH3:4])[OH:29] |
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