| Properties | Image |
|---|
| MNX_ID | MNXM1558123 |
 |
| reference | lipidmapsM:LMPR0106040016 |
| formula | C31H46O6 |
| global charge | 0 |
| mol weight | 514.703 |
| InChIKey | DOCBWOTZOGLGKD-SXPVKKQQSA-N |
| InChI | InChI=1S/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-24(37-19(4)32)16-31(7)27(26)23(34)15-25-29(5)13-12-22(33)18(3)21(29)11-14-30(25,31)6/h9,15,18,21-24,27,33-34H,8,10-14,16H2,1-7H3,(H,35,36)/b26-20+/t18-,21-,22+,23?,24-,27-,29-,30-,31-/m0/s1 |
| SMILES | CC(=O)O[C@H]1C[C@@]2(C)[C@H](/C1=C(\CCC=C(C)C)C(=O)O)C(O)C=C1[C@]2(C)CC[C@H]2[C@H](C)[C@H](O)CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-24(37-19(4)32)16-31(7)27(26)23(34)15-25-29(5)13-12-22(33)18(3)21(29)11-14-30(25,31)6/h9,15,18,21-24,27,33-34H,8,10-14,16H2,1-7H3,(H,35,36)/b26-20+/t18-,21-,22+,23?,24-,27-,29-,30-,31-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:17]([CH3:2])=[CH:9][CH2:8][CH2:10]/[C:20](=[C:26]1/[C@@H:24]([O:37][C:19]([CH3:4])=[O:32])[CH2:16][C@@:31]2([CH3:7])[C@H:27]1[CH:23]([OH:34])[CH:15]=[C:25]1[C@@:29]3([CH3:5])[CH2:13][CH2:12][C@@H:22]([OH:33])[C@@H:18]([CH3:3])[C@@H:21]3[CH2:11][CH2:14][C@@:30]12[CH3:6])[C:28](=[O:35])[OH:36] |
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