| Properties | Image |
|---|
| MNX_ID | MNXM44315 |
 |
| reference | lipidmapsM:LMPK12050221 |
| formula | C28H32O15 |
| global charge | 0 |
| mol weight | 608.549 |
| InChIKey | BZTCEZPKCUXMNG-APRWHZIJSA-N |
| InChI | InChI=1S/C28H32O15/c1-38-12-4-2-11(3-5-12)14-9-39-16-7-13(6-15(30)19(16)20(14)31)41-28-26(37)24(35)22(33)18(43-28)10-40-27-25(36)23(34)21(32)17(8-29)42-27/h2-7,9,17-18,21-30,32-37H,8,10H2,1H3/t17-,18-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1 |
| SMILES | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[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/C28H32O15/c1-38-12-4-2-11(3-5-12)14-9-39-16-7-13(6-15(30)19(16)20(14)31)41-28-26(37)24(35)22(33)18(43-28)10-40-27-25(36)23(34)21(32)17(8-29)42-27/h2-7,9,17-18,21-30,32-37H,8,10H2,1H3/t17-,18-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:38][C:12]1=[CH:5][CH:3]=[C:11]([C:14]2=[CH:9][O:39][C:16]3=[CH:7][C:13]([O:41][C@H:28]4[C@H:26]([OH:37])[C@@H:24]([OH:35])[C@H:22]([OH:33])[C@@H:18]([CH2:10][O:40][C@H:27]5[C@H:25]([OH:36])[C@@H:23]([OH:34])[C@H:21]([OH:32])[C@@H:17]([CH2:8][OH:29])[O:42]5)[O:43]4)=[CH:6][C:15]([OH:30])=[C:19]3[C:20]2=[O:31])[CH:2]=[CH:4]1 |
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