| Properties | Image |
|---|
| MNX_ID | MNXM108681 |
 |
| reference | chebi:66159 |
| formula | C19H22O7 |
| global charge | 0 |
| mol weight | 362.378 |
| InChIKey | CVLVYBSPYHCGGU-VQXUUFQGSA-N |
| InChI | InChI=1S/C19H22O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,11-15,22-23H,5-6H2,1-3H3/t8-,11+,12+,13-,14+,15-,17-,18-,19+/m0/s1 |
| SMILES | CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@@H]32 |
MNX internals
| InChI (mnx) | InChI=1/C19H22O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,11-15,22-23H,5-6H2,1-3H3/t8-,11+,12+,13-,14+,15-,17-,18-,19+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:7]1=[CH:4][C:9](=[O:20])[C@@H:14]([OH:23])[C@@:17]2([CH3:2])[C@H:8]1[CH2:5][C:10](=[O:21])[C@@:19]13[CH2:6][O:25][C@@:18]4([CH3:3])[C@@H:13]1[C:16](=[O:24])[O:26][C@H:15]4[C@H:11]([OH:22])[C@H:12]23 |
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