| SpectraBase Spectrum ID |
87pZVSy2Ogv |
| Name |
Gibberellic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
77-06-5; 16202-20-3; 7121-55-3 |
| Comments |
Saturated Gibberellic acid - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C19 H22 O6 |
| IUPAC Name |
2,7-Dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid |
| InChI |
InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1 |
| InChIKey |
IXORZMNAPKEEDV-OBDJNFEBSA-N |
| PubChem Compound ID |
6466 |
| SMILES |
CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O; C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O |
| Source File Reference |
bmse000317 |
