| Properties | Image |
|---|
| MNX_ID | MNXM102314 |
 |
| reference | chebi:65357 |
| formula | C30H38O15 |
| global charge | 0 |
| mol weight | 638.619 |
| InChIKey | BNUJOMJNLGIKGM-HLDXYIHRSA-N |
| InChI | InChI=1S/C30H38O15/c1-11-25-14(10-40-28-23(37)21(35)18(9-32)43-30(28)44-25)27(45-29-24(38)22(36)20(34)17(8-31)42-29)19-15(33)7-16(41-26(11)19)12-3-5-13(39-2)6-4-12/h3-6,15-18,20-24,28-38H,7-10H2,1-2H3/t15-,16+,17-,18-,20-,21-,22+,23+,24-,28-,29+,30+/m1/s1 |
| SMILES | COC1=CC=C([C@@H]2C[C@@H](O)C3=C(O2)C(C)=C2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OCC2=C3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H38O15/c1-11-25-14(10-40-28-23(37)21(35)18(9-32)43-30(28)44-25)27(45-29-24(38)22(36)20(34)17(8-31)42-29)19-15(33)7-16(41-26(11)19)12-3-5-13(39-2)6-4-12/h3-6,15-18,20-24,28-38H,7-10H2,1-2H3/t15-,16+,17-,18-,20-,21-,22+,23+,24-,28-,29+,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11]1=[C:26]2[C:19](=[C:27]([O:45][C@H:29]3[C@H:24]([OH:38])[C@@H:22]([OH:36])[C@H:20]([OH:34])[C@@H:17]([CH2:8][OH:31])[O:42]3)[C:14]3=[C:25]1[O:44][C@H:30]1[C@@H:28]([C@@H:23]([OH:37])[C@H:21]([OH:35])[C@@H:18]([CH2:9][OH:32])[O:43]1)[O:40][CH2:10]3)[C@H:15]([OH:33])[CH2:7][C@@H:16]([C:12]1=[CH:4][CH:6]=[C:13]([O:39][CH3:2])[CH:5]=[CH:3]1)[O:41]2 |
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