| Properties | Image |
|---|
| MNX_ID | MNXM53785 |
 |
| reference | lipidmapsM:LMPK12050025 |
| formula | C27H30O13 |
| global charge | 0 |
| mol weight | 562.524 |
| InChIKey | YKLQOTMQENGJJX-CNJCLPMASA-N |
| InChI | InChI=1S/C27H30O13/c1-35-13-4-2-12(3-5-13)16-9-36-18-8-14(6-7-15(18)20(16)29)39-27-25(34)23(32)22(31)19(40-27)11-38-26-24(33)21(30)17(28)10-37-26/h2-9,17,19,21-28,30-34H,10-11H2,1H3/t17-,19-,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=C3C2=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O13/c1-35-13-4-2-12(3-5-13)16-9-36-18-8-14(6-7-15(18)20(16)29)39-27-25(34)23(32)22(31)19(40-27)11-38-26-24(33)21(30)17(28)10-37-26/h2-9,17,19,21-28,30-34H,10-11H2,1H3/t17-,19-,21+,22-,23+,24-,25-,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:35][C:13]1=[CH:5][CH:3]=[C:12]([C:16]2=[CH:9][O:36][C:18]3=[C:15]([CH:7]=[CH:6][C:14]([O:39][C@H:27]4[C@H:25]([OH:34])[C@@H:23]([OH:32])[C@H:22]([OH:31])[C@@H:19]([CH2:11][O:38][C@H:26]5[C@H:24]([OH:33])[C@@H:21]([OH:30])[C@H:17]([OH:28])[CH2:10][O:37]5)[O:40]4)=[CH:8]3)[C:20]2=[O:29])[CH:2]=[CH:4]1 |
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