| Properties | Image |
|---|
| MNX_ID | MNXM114685 |
 |
| reference | metacycM:CPD-14990 |
| formula | C31H28O14 |
| global charge | 0 |
| mol weight | 624.551 |
| InChIKey | CNKAKUZLQGNVQK-WILGQBCPSA-N |
| InChI | InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)35)28-30(26(39)24-19(36)11-17(34)12-21(24)42-28)45-31-27(40)29(25(38)22(13-32)43-31)44-23(37)9-4-14-2-6-16(33)7-3-14/h2-12,22,25,27,29,31-36,38,40H,13H2,1H3/b9-4+/t22-,25-,27-,29+,31+/m1/s1 |
| SMILES | COC1=CC(C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)/C=C/C4=CC=C(O)C=C4)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C31H28O14/c1-41-20-10-15(5-8-18(20)35)28-30(26(39)24-19(36)11-17(34)12-21(24)42-28)45-31-27(40)29(25(38)22(13-32)43-31)44-23(37)9-4-14-2-6-16(33)7-3-14/h2-12,22,25,27,29,31-36,38,40H,13H2,1H3/b9-4+/t22-,25-,27-,29+,31+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:41][C:20]1=[C:18]([OH:35])[CH:8]=[CH:5][C:15]([C:28]2=[C:30]([O:45][C@H:31]3[C@H:27]([OH:40])[C@@H:29]([O:44][C:23](/[CH:9]=[CH:4]/[C:14]4=[CH:3][CH:7]=[C:16]([OH:33])[CH:6]=[CH:2]4)=[O:37])[C@H:25]([OH:38])[C@@H:22]([CH2:13][OH:32])[O:43]3)[C:26](=[O:39])[C:24]3=[C:19]([OH:36])[CH:11]=[C:17]([OH:34])[CH:12]=[C:21]3[O:42]2)=[CH:10]1 |
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