| Properties | Image |
|---|
| MNX_ID | MNXM101532 |
 |
| reference | chebi:67932 |
| formula | C29H32O17 |
| global charge | 0 |
| mol weight | 652.558 |
| InChIKey | RZRIJLLGEUPKNZ-BIENJXGCSA-N |
| InChI | InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(41-9)43-12-6-15(34)18-16(7-12)44-25(11-3-4-13(32)14(33)5-11)26(21(18)37)46-29-27(42-10(2)31)23(39)20(36)17(8-30)45-29/h3-7,9,17,19-20,22-24,27-30,32-36,38-40H,8H2,1-2H3/t9-,17+,19-,20+,22+,23-,24+,27+,28-,29-/m0/s1 |
| SMILES | CC(=O)O[C@H]1[C@H](OC2=C(C3=CC(O)=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C29H32O17/c1-9-19(35)22(38)24(40)28(41-9)43-12-6-15(34)18-16(7-12)44-25(11-3-4-13(32)14(33)5-11)26(21(18)37)46-29-27(42-10(2)31)23(39)20(36)17(8-30)45-29/h3-7,9,17,19-20,22-24,27-30,32-36,38-40H,8H2,1-2H3/t9-,17+,19-,20+,22+,23-,24+,27+,28-,29-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]1[C@H:19]([OH:35])[C@@H:22]([OH:38])[C@@H:24]([OH:40])[C@H:28]([O:43][C:12]2=[CH:6][C:15]([OH:34])=[C:18]3[C:16](=[CH:7]2)[O:44][C:25]([C:11]2=[CH:5][C:14]([OH:33])=[C:13]([OH:32])[CH:4]=[CH:3]2)=[C:26]([O:46][C@H:29]2[C@H:27]([O:42][C:10]([CH3:2])=[O:31])[C@@H:23]([OH:39])[C@H:20]([OH:36])[C@@H:17]([CH2:8][OH:30])[O:45]2)[C:21]3=[O:37])[O:41]1 |
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