| Properties | Image |
|---|
| MNX_ID | MNXM114651 |
 |
| reference | chebi:145768 |
| formula | C27H30O15 |
| global charge | 0 |
| mol weight | 594.522 |
| InChIKey | XDMJJZUUHWWITI-IPOZFMEPSA-N |
| InChI | InChI=1S/C27H30O15/c28-8-17-20(32)22(34)24(36)26(41-17)38-9-18-21(33)23(35)25(37)27(42-18)39-12-5-13(30)19-14(31)7-15(40-16(19)6-12)10-1-3-11(29)4-2-10/h1-7,17-18,20-30,32-37H,8-9H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1 |
| SMILES | O=C1C=C(C2=CC=C(O)C=C2)OC2=CC(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O15/c28-8-17-20(32)22(34)24(36)26(41-17)38-9-18-21(33)23(35)25(37)27(42-18)39-12-5-13(30)19-14(31)7-15(40-16(19)6-12)10-1-3-11(29)4-2-10/h1-7,17-18,20-30,32-37H,8-9H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([OH:29])=[CH:4][CH:2]=[C:10]1[C:15]1=[CH:7][C:14](=[O:31])[C:19]2=[C:13]([OH:30])[CH:5]=[C:12]([O:39][C@H:27]3[C@H:25]([OH:37])[C@@H:23]([OH:35])[C@H:21]([OH:33])[C@@H:18]([CH2:9][O:38][C@H:26]4[C@H:24]([OH:36])[C@@H:22]([OH:34])[C@H:20]([OH:32])[C@@H:17]([CH2:8][OH:28])[O:41]4)[O:42]3)[CH:6]=[C:16]2[O:40]1 |
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