| Properties | Image |
|---|
| MNX_ID | MNXM107956 |
 |
| reference | chebi:69020 |
| formula | C28H30O10 |
| global charge | 0 |
| mol weight | 526.538 |
| InChIKey | CGVBSJOSWAZUIF-IOMVKLDJSA-N |
| InChI | InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3/t12-,14+,15-,16-,18+,19-,23+,24+,25-,26+,27+,28-/m0/s1 |
| SMILES | C[C@]12C(=O)C=CC=C1[C@@H](O)C[C@@H]1[C@@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@]23[C@H]5C6=O)C(=O)O4 |
MNX internals
| InChI (mnx) | InChI=1/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3/t12-,14+,15-,16-,18+,19-,23+,24+,25-,26+,27+,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:23]12[CH2:10][C@@H:18]3[C@@:25]4([CH3:3])[C@@:28]56[C@H:19]1[C:20](=[O:31])[C@:27]([C@@H:14]1[CH2:9][C@H:16]([OH:29])[C:13]7=[CH:5][CH:4]=[CH:6][C:17](=[O:30])[C@:24]7([CH3:2])[C@H:12]1[CH2:7][CH2:8][C@@:26]5([OH:34])[C:22](=[O:33])[O:37]4)([O:35][CH2:11][C@H:15]2[C:21](=[O:32])[O:36]3)[O:38]6 |
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