| Properties | Image |
|---|
| MNX_ID | MNXM29306 |
 |
| reference | lipidmapsM:LMPK12010382 |
| formula | C26H27O15 |
| global charge | 1 |
| mol weight | 579.487 |
| InChIKey | ORZQHBRJUMAOIF-UUGZZFCKSA-O |
| InChI | InChI=1S/C26H26O15/c1-36-15-3-10(4-16(37-2)21(15)32)25-17(7-12-13(28)5-11(27)6-14(12)39-25)40-26-24(35)23(34)22(33)18(41-26)9-38-20(31)8-19(29)30/h3-7,18,22-24,26,33-35H,8-9H2,1-2H3,(H3-,27,28,29,30,32)/p+1/t18-,22-,23+,24-,26-/m1/s1 |
| SMILES | COC1=CC(C2=C(O[C@@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C3C(O)=CC(O)=CC3=[O+]2)=CC(OC)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C26H26O15/c1-36-15-3-10(4-16(37-2)21(15)32)25-17(7-12-13(28)5-11(27)6-14(12)39-25)40-26-24(35)23(34)22(33)18(41-26)9-38-20(31)8-19(29)30/h3-7,18,22-24,26,33-35H,8-9H2,1-2H3,(H3-,27,28,29,30,32)/t18-,22-,23+,24-,26-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:36][C:15]1=[C:21]([O-:32])[C:16]([O:37][CH3:2])=[CH:4][C:10]([C:25]2=[O+:39][C:14]3=[CH:6][C:11]([OH:27])=[CH:5][C:13]([OH:28])=[C:12]3[CH:7]=[C:17]2[O:40][C@H:26]2[C@H:24]([OH:35])[C@@H:23]([OH:34])[C@H:22]([OH:33])[C@@H:18]([CH2:9][O:38][C:20]([CH2:8][C:19](=[O:29])[OH:30])=[O:31])[O:41]2)=[CH:3]1 |
|