| Properties | Image |
|---|
| MNX_ID | MNXM48707 |
 |
| reference | lipidmapsM:LMPK12060031 |
| formula | C29H32O13 |
| global charge | 0 |
| mol weight | 588.562 |
| InChIKey | MLGRWAZPBZFAGL-NHPGOWOXSA-N |
| InChI | InChI=1S/C29H32O13/c1-12(10-39-28-25(33)24(32)23(31)21(9-30)41-28)17-6-14-16(40-17)5-4-13-26(14)42-22-11-38-18-8-20(37-3)19(36-2)7-15(18)29(22,35)27(13)34/h4-5,7-8,17,21-25,28,30-33,35H,1,6,9-11H2,2-3H3/t17?,21-,22?,23-,24+,25-,28-,29?/m1/s1 |
| SMILES | C=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1CC2=C3OC4COC5=C(C=C(OC)C(OC)=C5)C4(O)C(=O)C3=CC=C2O1 |
MNX internals
| InChI (mnx) | InChI=1/C29H32O13/c1-12(10-39-28-25(33)24(32)23(31)21(9-30)41-28)17-6-14-16(40-17)5-4-13-26(14)42-22-11-38-18-8-20(37-3)19(36-2)7-15(18)29(22,35)27(13)34/h4-5,7-8,17,21-25,28,30-33,35H,1,6,9-11H2,2-3H3/t17?,21-,22?,23-,24+,25-,28-,29?/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:12]([CH2:10][O:39][C@H:28]1[C@H:25]([OH:33])[C@@H:24]([OH:32])[C@H:23]([OH:31])[C@@H:21]([CH2:9][OH:30])[O:41]1)[CH:17]1[CH2:6][C:14]2=[C:16]([CH:5]=[CH:4][C:13]3=[C:26]2[O:42][CH:22]2[CH2:11][O:38][C:18]4=[CH:8][C:20]([O:37][CH3:3])=[C:19]([O:36][CH3:2])[CH:7]=[C:15]4[C:29]2([OH:35])[C:27]3=[O:34])[O:40]1 |
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