| Properties | Image |
|---|
| MNX_ID | MNXM114555 |
 |
| reference | metacycM:CPD-14978 |
| formula | C30H26O14 |
| global charge | 0 |
| mol weight | 610.524 |
| InChIKey | NBAZENYUDPJQIH-DVQXAVRRSA-N |
| InChI | InChI=1S/C30H26O14/c31-15-5-1-13(2-6-15)3-8-22(36)41-12-21-24(37)26(39)27(40)30(43-21)44-29-25(38)23-19(35)10-16(32)11-20(23)42-28(29)14-4-7-17(33)18(34)9-14/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-3+/t21-,24-,26+,27-,30+/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H26O14/c31-15-5-1-13(2-6-15)3-8-22(36)41-12-21-24(37)26(39)27(40)30(43-21)44-29-25(38)23-19(35)10-16(32)11-20(23)42-28(29)14-4-7-17(33)18(34)9-14/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-3+/t21-,24-,26+,27-,30+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:5][C:15]([OH:31])=[CH:6][CH:2]=[C:13]1/[CH:3]=[CH:8]/[C:22](=[O:36])[O:41][CH2:12][C@@H:21]1[C@@H:24]([OH:37])[C@H:26]([OH:39])[C@@H:27]([OH:40])[C@H:30]([O:44][C:29]2=[C:28]([C:14]3=[CH:9][C:18]([OH:34])=[C:17]([OH:33])[CH:7]=[CH:4]3)[O:42][C:20]3=[CH:11][C:16]([OH:32])=[CH:10][C:19]([OH:35])=[C:23]3[C:25]2=[O:38])[O:43]1 |
|