| Properties | Image |
|---|
| MNX_ID | MNXM38797 |
 |
| reference | lipidmapsM:LMPK12111191 |
| formula | C27H30O17 |
| global charge | 0 |
| mol weight | 626.52 |
| InChIKey | IWVVVMUHPPYDFH-IJTBWITGSA-N |
| InChI | InChI=1S/C27H30O17/c28-6-15-19(33)22(36)24(38)26(43-15)40-7-16-20(34)23(37)25(39)27(44-16)42-14-5-13-17(21(35)18(14)32)11(31)4-12(41-13)8-1-2-9(29)10(30)3-8/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1 |
| SMILES | O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=C(O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O17/c28-6-15-19(33)22(36)24(38)26(43-15)40-7-16-20(34)23(37)25(39)27(44-16)42-14-5-13-17(21(35)18(14)32)11(31)4-12(41-13)8-1-2-9(29)10(30)3-8/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][C:9]([OH:29])=[C:10]([OH:30])[CH:3]=[C:8]1[C:12]1=[CH:4][C:11](=[O:31])[C:17]2=[C:13]([CH:5]=[C:14]([O:42][C@H:27]3[C@H:25]([OH:39])[C@@H:23]([OH:37])[C@H:20]([OH:34])[C@@H:16]([CH2:7][O:40][C@H:26]4[C@H:24]([OH:38])[C@@H:22]([OH:36])[C@H:19]([OH:33])[C@@H:15]([CH2:6][OH:28])[O:43]4)[O:44]3)[C:18]([OH:32])=[C:21]2[OH:35])[O:41]1 |
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