| Properties | Image |
|---|
| MNX_ID | MNXM81449 |
 |
| reference | chebi:9018 |
| formula | C18H18O6 |
| global charge | 0 |
| mol weight | 330.336 |
| InChIKey | BHRGGWSNTHQGED-QNHMRRABSA-N |
| InChI | InChI=1S/C18H18O6/c1-7-4-9(19)16(2)8(7)5-10(20)18-6-23-17(3)13(18)15(22)24-14(17)11(21)12(16)18/h4-5,11-14,21H,6H2,1-3H3/t11-,12-,13+,14+,16-,17+,18-/m1/s1 |
| SMILES | CC1=CC(=O)[C@@]2(C)C1=CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@H]23 |
MNX internals
| InChI (mnx) | InChI=1/C18H18O6/c1-7-4-9(19)16(2)8(7)5-10(20)18-6-23-17(3)13(18)15(22)24-14(17)11(21)12(16)18/h4-5,11-14,21H,6H2,1-3H3/t11-,12-,13+,14+,16-,17+,18-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:7]1=[CH:4][C:9](=[O:19])[C@@:16]2([CH3:2])[C:8]1=[CH:5][C:10](=[O:20])[C@@:18]13[CH2:6][O:23][C@@:17]4([CH3:3])[C@@H:13]1[C:15](=[O:22])[O:24][C@H:14]4[C@H:11]([OH:21])[C@H:12]23 |
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