| Properties | Image |
|---|
| MNX_ID | MNXM103743 |
 |
| reference | chebi:67807 |
| formula | C29H28O12 |
| global charge | 0 |
| mol weight | 568.531 |
| InChIKey | HBIPDNZXAWNFRY-VEKNWUCMSA-N |
| InChI | InChI=1S/C29H28O12/c30-18-9-16(10-19(31)12-18)27(37)40-25-24(36)13-39-26(25)29(17-2-4-21(33)23(35)11-17)6-5-15(28(38)41-29)7-14-1-3-20(32)22(34)8-14/h1-4,8-12,15,24-26,30-36H,5-7,13H2/t15-,24+,25-,26-,29+/m1/s1 |
| SMILES | O=C(O[C@H]1[C@H]([C@@]2(C3=CC=C(O)C(O)=C3)CC[C@H](CC3=CC=C(O)C(O)=C3)C(=O)O2)OC[C@@H]1O)C1=CC(O)=CC(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H28O12/c30-18-9-16(10-19(31)12-18)27(37)40-25-24(36)13-39-26(25)29(17-2-4-21(33)23(35)11-17)6-5-15(28(38)41-29)7-14-1-3-20(32)22(34)8-14/h1-4,8-12,15,24-26,30-36H,5-7,13H2/t15-,24+,25-,26-,29+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:20]([OH:32])=[C:22]([OH:34])[CH:8]=[C:14]1[CH2:7][C@H:15]1[CH2:5][CH2:6][C@:29]([C:17]2=[CH:11][C:23]([OH:35])=[C:21]([OH:33])[CH:4]=[CH:2]2)([C@H:26]2[C@H:25]([O:40][C:27]([C:16]3=[CH:9][C:18]([OH:30])=[CH:12][C:19]([OH:31])=[CH:10]3)=[O:37])[C@@H:24]([OH:36])[CH2:13][O:39]2)[O:41][C:28]1=[O:38] |
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