| Properties | Image |
|---|
| MNX_ID | MNXM44318 |
 |
| reference | lipidmapsM:LMPK12050222 |
| formula | C27H30O14 |
| global charge | 0 |
| mol weight | 578.523 |
| InChIKey | ODHKRSFJWQEWGG-HWGSVKNTSA-N |
| InChI | InChI=1S/C27H30O14/c1-36-12-4-2-11(3-5-12)14-8-37-17-7-13(6-15(28)19(17)20(14)30)40-27-25(35)23(33)22(32)18(41-27)10-39-26-24(34)21(31)16(29)9-38-26/h2-8,16,18,21-29,31-35H,9-10H2,1H3/t16-,18-,21+,22-,23+,24-,25-,26+,27-/m1/s1 |
| SMILES | COC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O14/c1-36-12-4-2-11(3-5-12)14-8-37-17-7-13(6-15(28)19(17)20(14)30)40-27-25(35)23(33)22(32)18(41-27)10-39-26-24(34)21(31)16(29)9-38-26/h2-8,16,18,21-29,31-35H,9-10H2,1H3/t16-,18-,21+,22-,23+,24-,25-,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:36][C:12]1=[CH:5][CH:3]=[C:11]([C:14]2=[CH:8][O:37][C:17]3=[CH:7][C:13]([O:40][C@H:27]4[C@H:25]([OH:35])[C@@H:23]([OH:33])[C@H:22]([OH:32])[C@@H:18]([CH2:10][O:39][C@H:26]5[C@H:24]([OH:34])[C@@H:21]([OH:31])[C@H:16]([OH:29])[CH2:9][O:38]5)[O:41]4)=[CH:6][C:15]([OH:28])=[C:19]3[C:20]2=[O:30])[CH:2]=[CH:4]1 |
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