| Properties | Image |
|---|
| MNX_ID | MNXM819992 |
 |
| reference | seedM:cpd37279 |
| formula | C27H30O15 |
| global charge | 0 |
| mol weight | 594.522 |
| InChIKey | VZTKWCUQLUHDFJ-YUDQGHALSA-N |
| InChI | InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-29,31-37H,8H2,1H3/t9-,18-,19-,20-,21+,22+,23+,24-,26?,27?/m0/s1 |
| SMILES | C[C@@H]1OC(OC[C@@H]2OC(OC3=C(C4=CC=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/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-29,31-37H,8H2,1H3/t9-,18-,19-,20-,21+,22+,23+,24-,26?,27?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]1[C@H:19]([OH:32])[C@@H:21]([OH:34])[C@@H:23]([OH:36])[CH:26]([O:38][CH2:8][C@H:18]2[C@H:20]([OH:33])[C@@H:22]([OH:35])[C@H:24]([OH:37])[CH:27]([O:41][C:17]3=[C:25]([C:10]4=[CH:4][C:15]([OH:31])=[C:13]([OH:29])[CH:3]=[CH:2]4)[O:40][C:16]4=[CH:6][C:11]([OH:28])=[CH:5][C:14](=[O:30])[C:12]4=[CH:7]3)[O:42]2)[O:39]1 |
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