| Properties | Image |
|---|
| MNX_ID | MNXM1364218 |
 |
| reference | metacycM:GIBBERELLIN-2-O-BETA-D-GLUCOSIDE |
| formula | C25H31O11 |
| global charge | -1 |
| mol weight | 507.512 |
| InChIKey | WUTOEZVIPGBMEA-UULJJINCSA-M |
| InChI | InChI=1S/C25H32O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(22(2,21(32)36-25)18(25)14(23)19(30)31)35-20-17(29)16(28)15(27)11(8-26)34-20/h4,6,11-18,20,26-29,33H,1,3,5,7-9H2,2H3,(H,30,31)/p-1/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22+,23+,24+,25-/m1/s1 |
| SMILES | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C25H32O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(22(2,21(32)36-25)18(25)14(23)19(30)31)35-20-17(29)16(28)15(27)11(8-26)34-20/h4,6,11-18,20,26-29,33H,1,3,5,7-9H2,2H3,(H,30,31)/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22+,23+,24+,25-/m1/s1 |
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| SMILES (mnx) | [CH2:1]=[C:10]1[CH2:7][C@:23]23[CH2:9][C@@:24]1([OH:33])[CH2:5][CH2:3][C@H:12]2[C@:25]12[CH:6]=[CH:4][C@H:13]([O:35][C@H:20]4[C@H:17]([OH:29])[C@@H:16]([OH:28])[C@H:15]([OH:27])[C@@H:11]([CH2:8][OH:26])[O:34]4)[C@@:22]([CH3:2])([C@H:18]1[C@@H:14]3[C:19](=[O:30])[OH:31])[C:21](=[O:32])[O:36]2 |
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