| Properties | Image |
|---|
| MNX_ID | MNXM13542 |
 |
| reference | metacycM:CPD-6226 |
| formula | C20H23O9 |
| global charge | -3 |
| mol weight | 407.395 |
| InChIKey | DYVHOWCHNAWQBM-YBBILEQGSA-K |
| InChI | InChI=1S/C20H26O9/c1-8-5-18-7-19(8,29)4-3-10(18)20(16(27)28)6-9(21)13(22)17(2,15(25)26)12(20)11(18)14(23)24/h9-13,21-22,29H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)/p-3/t9-,10+,11+,12+,13-,17-,18-,19-,20+/m0/s1 |
| SMILES | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C(=O)[O-])C[C@H](O)[C@H](O)[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H26O9/c1-8-5-18-7-19(8,29)4-3-10(18)20(16(27)28)6-9(21)13(22)17(2,15(25)26)12(20)11(18)14(23)24/h9-13,21-22,29H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)/t9-,10+,11+,12+,13-,17-,18-,19-,20+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:8]1[CH2:5][C@:18]23[CH2:7][C@@:19]1([OH:29])[CH2:4][CH2:3][C@H:10]2[C@:20]1([C:16](=[O:27])[OH:28])[CH2:6][C@H:9]([OH:21])[C@H:13]([OH:22])[C@@:17]([CH3:2])([C:15](=[O:25])[OH:26])[C@H:12]1[C@@H:11]3[C:14](=[O:23])[OH:24] |
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