| Properties | Image |
|---|
| MNX_ID | MNXM1364291 |
 |
| reference | seedM:cpd15031 |
| formula | C27H30O16 |
| global charge | 0 |
| mol weight | 610.521 |
| InChIKey | PGVICUPCFRMFOZ-LTSKFBHWSA-N |
| InChI | InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-28,30-38H,7H2,1H3/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(=O)C4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-28,30-38H,7H2,1H3/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]1[C@H:18]([OH:32])[C@@H:21]([OH:35])[C@@H:23]([OH:37])[C@H:26]([O:39][CH2:7][C@@H:17]2[C@@H:20]([OH:34])[C@H:22]([OH:36])[C@@H:24]([OH:38])[C@H:27]([O:42][C:16]3=[C:25]([C:9]4=[CH:2][C:13]([OH:30])=[C:19]([OH:33])[C:14]([OH:31])=[CH:3]4)[O:41][C:15]4=[CH:5][C:10]([OH:28])=[CH:4][C:12](=[O:29])[C:11]4=[CH:6]3)[O:43]2)[O:40]1 |
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