| Properties | Image |
|---|
| MNX_ID | MNXM44317 |
 |
| reference | lipidmapsM:LMPK12050220 |
| formula | C28H32O14 |
| global charge | 0 |
| mol weight | 592.55 |
| InChIKey | WWSNSDWQADMAJB-BCECXGKMSA-N |
| InChI | InChI=1S/C28H32O14/c1-11-20(30)23(33)25(35)27(40-11)39-10-18-22(32)24(34)26(36)28(42-18)41-14-7-16(29)19-17(8-14)38-9-15(21(19)31)12-3-5-13(37-2)6-4-12/h3-9,11,18,20,22-30,32-36H,10H2,1-2H3/t11-,18+,20-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
| SMILES | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H32O14/c1-11-20(30)23(33)25(35)27(40-11)39-10-18-22(32)24(34)26(36)28(42-18)41-14-7-16(29)19-17(8-14)38-9-15(21(19)31)12-3-5-13(37-2)6-4-12/h3-9,11,18,20,22-30,32-36H,10H2,1-2H3/t11-,18+,20-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]1[C@H:20]([OH:30])[C@@H:23]([OH:33])[C@@H:25]([OH:35])[C@H:27]([O:39][CH2:10][C@@H:18]2[C@@H:22]([OH:32])[C@H:24]([OH:34])[C@@H:26]([OH:36])[C@H:28]([O:41][C:14]3=[CH:7][C:16]([OH:29])=[C:19]4[C:17](=[CH:8]3)[O:38][CH:9]=[C:15]([C:12]3=[CH:4][CH:6]=[C:13]([O:37][CH3:2])[CH:5]=[CH:3]3)[C:21]4=[O:31])[O:42]2)[O:40]1 |
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