| Properties | Image |
|---|
| MNX_ID | MNXM1368648 |
 |
| reference | metacycM:CPD-18099 |
| formula | C35H33O16 |
| global charge | -1 |
| mol weight | 709.633 |
| InChIKey | YGZYUUFOXHFXGY-YONICNLVSA-M |
| InChI | InChI=1S/C35H34O16/c36-18-6-1-16(2-7-18)3-10-27(41)46-15-26-29(43)30(44)33(51-34-31(45)28(42)23(40)14-47-34)35(50-26)49-25-13-21-22(39)11-20(38)12-24(21)48-32(25)17-4-8-19(37)9-5-17/h1-13,23,26,28-31,33-35,40,42-45H,14-15H2,(H3-,36,37,38,39,41)/p-1/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=CC3=C([O-])C=C([O-])C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C35H34O16/c36-18-6-1-16(2-7-18)3-10-27(41)46-15-26-29(43)30(44)33(51-34-31(45)28(42)23(40)14-47-34)35(50-26)49-25-13-21-22(39)11-20(38)12-24(21)48-32(25)17-4-8-19(37)9-5-17/h1-13,23,26,28-31,33-35,40,42-45H,14-15H2,(H3-,36,37,38,39,41)/b10-3?/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:6][C:18]([OH:36])=[CH:7][CH:2]=[C:16]1[CH:3]=[CH:10][C:27]([O-:41])=[O+:46][CH2:15][C@@H:26]1[C@@H:29]([OH:43])[C@H:30]([OH:44])[C@@H:33]([O:51][C@H:34]2[C@H:31]([OH:45])[C@@H:28]([OH:42])[C@H:23]([OH:40])[CH2:14][O:47]2)[C@H:35]([O:49][C:25]2=[CH:13][C:21]3=[C:22]([OH:39])[CH:11]=[C:20]([OH:38])[CH:12]=[C:24]3[O:48][C:32]2=[C:17]2[CH:4]=[CH:8][C:19](=[O:37])[CH:9]=[CH:5]2)[O:50]1 |
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