| Properties | Image |
|---|
| MNX_ID | MNXM104498 |
 |
| reference | chebi:65764 |
| formula | C34H34O14 |
| global charge | 0 |
| mol weight | 666.632 |
| InChIKey | LMADRJRTQXNOEP-FNCICBJWSA-N |
| InChI | InChI=1S/C34H34O14/c1-13-9-19(39)25-29(43)23-21(47-33(25,11-35)31(13)45-15(3)37)7-5-17(27(23)41)18-6-8-22-24(28(18)42)30(44)26-20(40)10-14(2)32(46-16(4)38)34(26,12-36)48-22/h5-8,13-14,31-32,35-36,39-42H,9-12H2,1-4H3/t13-,14-,31-,32-,33+,34+/m1/s1 |
| SMILES | CC(=O)O[C@@H]1[C@H](C)CC(O)=C2C(=O)C3=C(O)C(C4=CC=C5O[C@@]6(CO)C(=C(O)C[C@@H](C)[C@H]6OC(C)=O)C(=O)C5=C4O)=CC=C3O[C@@]21CO |
MNX internals
| InChI (mnx) | InChI=1/C34H34O14/c1-13-9-19(39)25-29(43)23-21(47-33(25,11-35)31(13)45-15(3)37)7-5-17(27(23)41)18-6-8-22-24(28(18)42)30(44)26-20(40)10-14(2)32(46-16(4)38)34(26,12-36)48-22/h5-8,13-14,31-32,35-36,39-42H,9-12H2,1-4H3/t13-,14-,31-,32-,33+,34+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:13]1[CH2:9][C:19]([OH:39])=[C:25]2[C:29](=[O:43])[C:23]3=[C:21]([CH:7]=[CH:5][C:17]([C:18]4=[C:28]([OH:42])[C:24]5=[C:22]([CH:8]=[CH:6]4)[O:48][C@@:34]4([CH2:12][OH:36])[C:26](=[C:20]([OH:40])[CH2:10][C@@H:14]([CH3:2])[C@H:32]4[O:46][C:16]([CH3:4])=[O:38])[C:30]5=[O:44])=[C:27]3[OH:41])[O:47][C@:33]2([CH2:11][OH:35])[C@@H:31]1[O:45][C:15]([CH3:3])=[O:37] |
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