| Properties | Image |
|---|
| MNX_ID | MNXM23134 |
 |
| reference | lipidmapsM:LMPK12140107 |
| formula | C27H32O15 |
| global charge | 0 |
| mol weight | 596.538 |
| InChIKey | WGQQLWYEBJNTFC-GDRLQRQZSA-N |
| InChI | InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)12-4-10(28)2-3-13(12)29/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16?,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)CC(C5=C(O)C=CC(O)=C5)OC4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)12-4-10(28)2-3-13(12)29/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16?,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]1[C@H:20]([OH:32])[C@@H:22]([OH:34])[C@@H:24]([OH:36])[C@H:26]([O:38][CH2:8][C@@H:18]2[C@@H:21]([OH:33])[C@H:23]([OH:35])[C@@H:25]([OH:37])[C@H:27]([O:40][C:11]3=[CH:5][C:14]([OH:30])=[C:19]4[C:15](=[O:31])[CH2:7][CH:16]([C:12]5=[C:13]([OH:29])[CH:3]=[CH:2][C:10]([OH:28])=[CH:4]5)[O:41][C:17]4=[CH:6]3)[O:42]2)[O:39]1 |
|