| Properties | Image |
|---|
| MNX_ID | MNXM29897 |
 |
| reference | lipidmapsM:LMPK12050012 |
| formula | C36H36O11 |
| global charge | 0 |
| mol weight | 644.673 |
| InChIKey | ZJTGUFCATXASHE-XLTJWZCXSA-N |
| InChI | InChI=1S/C36H36O11/c1-20(2)4-8-23-16-22(9-14-28(23)43-3)27-19-44-29-17-25(12-13-26(29)32(27)40)45-36-35(34(42)33(41)30(18-37)46-36)47-31(39)15-7-21-5-10-24(38)11-6-21/h4-7,9-17,19,30,33-38,41-42H,8,18H2,1-3H3/b15-7+/t30-,33-,34+,35-,36-/m1/s1 |
| SMILES | COC1=C(CC=C(C)C)C=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)/C=C/C4=CC=C(O)C=C4)=CC=C3C2=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C36H36O11/c1-20(2)4-8-23-16-22(9-14-28(23)43-3)27-19-44-29-17-25(12-13-26(29)32(27)40)45-36-35(34(42)33(41)30(18-37)46-36)47-31(39)15-7-21-5-10-24(38)11-6-21/h4-7,9-17,19,30,33-38,41-42H,8,18H2,1-3H3/b15-7+/t30-,33-,34+,35-,36-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:20]([CH3:2])=[CH:4][CH2:8][C:23]1=[C:28]([O:43][CH3:3])[CH:14]=[CH:9][C:22]([C:27]2=[CH:19][O:44][C:29]3=[C:26]([CH:13]=[CH:12][C:25]([O:45][C@H:36]4[C@H:35]([O:47][C:31](/[CH:15]=[CH:7]/[C:21]5=[CH:6][CH:11]=[C:24]([OH:38])[CH:10]=[CH:5]5)=[O:39])[C@@H:34]([OH:42])[C@H:33]([OH:41])[C@@H:30]([CH2:18][OH:37])[O:46]4)=[CH:17]3)[C:32]2=[O:40])=[CH:16]1 |
|