| Properties | Image |
|---|
| MNX_ID | MNXM1131986 |
 |
| reference | lipidmapsM:LMST01130036 |
| formula | C30H42O11 |
| global charge | 0 |
| mol weight | 578.655 |
| InChIKey | VQNGVQSHICLZSC-DGHYXMSISA-N |
| InChI | InChI=1S/C30H42O11/c1-28-8-7-18-19(30(28,38)11-20(33)23(28)15-2-5-22(34)39-13-15)4-3-16-10-17(6-9-29(16,18)14-32)40-27-26(37)25(36)24(35)21(12-31)41-27/h2,5,13-14,16-21,23-27,31,33,35-38H,3-4,6-12H2,1H3/t16-,17-,18-,19+,20-,21+,23-,24+,25-,26+,27+,28+,29+,30-/m0/s1 |
| SMILES | C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C=O)[C@@]1(O)C[C@H](O)[C@@H]2C1=COC(=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H42O11/c1-28-8-7-18-19(30(28,38)11-20(33)23(28)15-2-5-22(34)39-13-15)4-3-16-10-17(6-9-29(16,18)14-32)40-27-26(37)25(36)24(35)21(12-31)41-27/h2,5,13-14,16-21,23-27,31,33,35-38H,3-4,6-12H2,1H3/t16-,17-,18-,19+,20-,21+,23-,24+,25-,26+,27+,28+,29+,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:28]12[CH2:8][CH2:7][C@H:18]3[C@@H:19]([CH2:4][CH2:3][C@H:16]4[CH2:10][C@@H:17]([O:40][C@H:27]5[C@H:26]([OH:37])[C@@H:25]([OH:36])[C@H:24]([OH:35])[C@@H:21]([CH2:12][OH:31])[O:41]5)[CH2:6][CH2:9][C@@:29]43[CH:14]=[O:32])[C@@:30]1([OH:38])[CH2:11][C@H:20]([OH:33])[C@@H:23]2[C:15]1=[CH:13][O:39][C:22](=[O:34])[CH:5]=[CH:2]1 |
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