| Properties | Image |
|---|
| MNX_ID | MNXM1131800 |
 |
| reference | lipidmapsM:LMST01010414 |
| formula | C30H42O8 |
| global charge | 0 |
| mol weight | 530.658 |
| InChIKey | KZIHALVKGNMABR-WQVXXEFPSA-N |
| InChI | InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19-21,33-34H,8-13H2,1-7H3,(H,37,38)/t14-,15+,17-,19+,20-,21-,28+,29+,30+/m1/s1 |
| SMILES | C[C@H](CC(=O)C[C@H](C)C(=O)O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O |
MNX internals
| InChI (mnx) | InChI=1/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19-21,33-34H,8-13H2,1-7H3,(H,37,38)/t14-,15+,17-,19+,20-,21-,28+,29+,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:14]([CH2:10][C:16]([CH2:11][C@H:15]([CH3:2])[C:26](=[O:37])[OH:38])=[O:31])[C@H:17]1[CH2:12][C@@H:21]([OH:34])[C@@:30]2([CH3:7])[C:22]3=[C:23]([C:24](=[O:35])[C:25](=[O:36])[C@:29]12[CH3:6])[C@@:28]1([CH3:5])[CH2:9][CH2:8][C@@H:20]([OH:33])[C:27]([CH3:3])([CH3:4])[C@@H:19]1[CH2:13][C:18]3=[O:32] |
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