| Properties | Image |
|---|
| MNX_ID | MNXM1583642 |
 |
| reference | metacycM:CPD-18098 |
| formula | C30H25O14 |
| global charge | -1 |
| mol weight | 609.516 |
| InChIKey | RTVUMLBJQCCROY-SHPGVJHPSA-M |
| InChI | InChI=1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p-1/t24-,26-,27+,28-,30-/m1/s1 |
| SMILES | O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc3c([O-])cc([O-])cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30-33,35-36,38-40H,12H2/b6-2?/t24-,26-,27+,28-,30-/m1/s1 |
 |
| SMILES (mnx) | [cH:1]1[cH:4][c:17]([OH:32])[c:20]([OH:35])[cH:7][c:13]1[CH:2]=[CH:6][C:25](=[O:37])[O:41][CH2:12][C@@H:24]1[C@@H:26]([OH:38])[C@H:27]([OH:39])[C@@H:28]([OH:40])[C@H:30]([O:43][c:23]2[cH:11][c:16]3[c:19](=[O:34])[cH:9][c:15]([OH:31])[cH:10][c:22]-3[o:42][c:29]2-[c:14]2[cH:3][cH:5][c:18]([OH:33])[c:21]([OH:36])[cH:8]2)[O:44]1 |
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