| Properties | Image |
|---|
| MNX_ID | MNXM60595 |
 |
| reference | lipidmapsM:LMPK12111052 |
| formula | C28H32O15 |
| global charge | 0 |
| mol weight | 608.549 |
| InChIKey | HXGMFRZFNQCALH-HMZWGCPASA-N |
| InChI | InChI=1S/C28H32O15/c1-37-13-6-14(31)21-15(32)8-17(40-19(21)7-13)12-3-4-16(18(5-12)38-2)41-26-24(23(34)22(33)20(9-29)42-26)43-27-25(35)28(36,10-30)11-39-27/h3-8,20,22-27,29-31,33-36H,9-11H2,1-2H3/t20-,22-,23+,24-,25+,26-,27+,28-/m1/s1 |
| SMILES | COC1=CC2=C(C(=O)C=C(C3=CC(OC)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@](O)(CO)[C@H]4O)C=C3)O2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H32O15/c1-37-13-6-14(31)21-15(32)8-17(40-19(21)7-13)12-3-4-16(18(5-12)38-2)41-26-24(23(34)22(33)20(9-29)42-26)43-27-25(35)28(36,10-30)11-39-27/h3-8,20,22-27,29-31,33-36H,9-11H2,1-2H3/t20-,22-,23+,24-,25+,26-,27+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:37][C:13]1=[CH:6][C:14]([OH:31])=[C:21]2[C:15](=[O:32])[CH:8]=[C:17]([C:12]3=[CH:5][C:18]([O:38][CH3:2])=[C:16]([O:41][C@H:26]4[C@H:24]([O:43][C@H:27]5[C@H:25]([OH:35])[C@:28]([CH2:10][OH:30])([OH:36])[CH2:11][O:39]5)[C@@H:23]([OH:34])[C@H:22]([OH:33])[C@@H:20]([CH2:9][OH:29])[O:42]4)[CH:4]=[CH:3]3)[O:40][C:19]2=[CH:7]1 |
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