| Properties | Image |
|---|
| MNX_ID | MNXM56672 |
 |
| reference | lipidmapsM:LMPK12130071 |
| formula | C27H32O15 |
| global charge | 0 |
| mol weight | 596.538 |
| InChIKey | GRXIBUCMIOIMAU-UKILVTAVSA-N |
| InChI | InChI=1S/C27H32O15/c1-10-18(30)20(32)22(34)25(38-10)39-13-4-2-11(3-5-13)8-27(37)24(36)17-14(6-12(29)7-15(17)42-27)40-26-23(35)21(33)19(31)16(9-28)41-26/h2-7,10,16,18-23,25-26,28-35,37H,8-9H2,1H3/t10-,16+,18-,19+,20+,21-,22+,23+,25-,26+,27?/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC2=CC=C(CC3(O)OC4=C(C3=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C4)C=C2)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H32O15/c1-10-18(30)20(32)22(34)25(38-10)39-13-4-2-11(3-5-13)8-27(37)24(36)17-14(6-12(29)7-15(17)42-27)40-26-23(35)21(33)19(31)16(9-28)41-26/h2-7,10,16,18-23,25-26,28-35,37H,8-9H2,1H3/t10-,16+,18-,19+,20+,21-,22+,23+,25-,26+,27?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:18]([OH:30])[C@@H:20]([OH:32])[C@@H:22]([OH:34])[C@H:25]([O:39][C:13]2=[CH:5][CH:3]=[C:11]([CH2:8][C:27]3([OH:37])[C:24](=[O:36])[C:17]4=[C:14]([O:40][C@H:26]5[C@H:23]([OH:35])[C@@H:21]([OH:33])[C@H:19]([OH:31])[C@@H:16]([CH2:9][OH:28])[O:41]5)[CH:6]=[C:12]([OH:29])[CH:7]=[C:15]4[O:42]3)[CH:2]=[CH:4]2)[O:38]1 |
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