| Properties | Image |
|---|
| MNX_ID | MNXM25736 |
 |
| reference | lipidmapsM:LMPK12110833 |
| formula | C21H20O12 |
| global charge | 0 |
| mol weight | 464.379 |
| InChIKey | PDURHZNFDMIFDU-FFYOZGDPSA-N |
| InChI | InChI=1S/C21H20O12/c22-5-13-17(29)18(30)19(31)21(33-13)15-8(24)3-7(23)14-9(25)4-12(32-20(14)15)6-1-10(26)16(28)11(27)2-6/h1-4,13,17-19,21-24,26-31H,5H2/t13-,17-,18+,19-,21+/m1/s1 |
| SMILES | O=C1C=C(C2=CC(O)=C(O)C(O)=C2)OC2=C1C(O)=CC(O)=C2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H20O12/c22-5-13-17(29)18(30)19(31)21(33-13)15-8(24)3-7(23)14-9(25)4-12(32-20(14)15)6-1-10(26)16(28)11(27)2-6/h1-4,13,17-19,21-24,26-31H,5H2/t13-,17-,18+,19-,21+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:6]([C:12]2=[CH:4][C:9](=[O:25])[C:14]3=[C:20]([C:15]([C@H:21]4[C@H:19]([OH:31])[C@@H:18]([OH:30])[C@H:17]([OH:29])[C@@H:13]([CH2:5][OH:22])[O:33]4)=[C:8]([OH:24])[CH:3]=[C:7]3[OH:23])[O:32]2)[CH:2]=[C:11]([OH:27])[C:16]([OH:28])=[C:10]1[OH:26] |
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