basic_info |
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Product_Name: | AUSTOCYSTINB |
CAS: | 55256-57-0 |
EnglishSynonyms: | AUSTOCYSTINB |
pro_mdlNumber: | MFCD00133116 |
pro_acceptors: | 7 |
pro_donors: | 3 |
pro_smile: | CC(C)(CCc1ccc(c2c1oc3cc4c(c(c3c2=O)O)[C@@H]5C=CO[C@@H]5O4)O)O |
InChi: | InChI=1S/C22H20O7/c1-22(2,26)7-5-10-3-4-12(23)16-19(25)17-14(28-20(10)16)9-13-15(18(17)24)11-6-8-27-21(11)29-13/h3-4,6,8-9,11,21,23-24,26H,5,7H2,1-2H3/t11-,21+/m0/s1 |
InChiKey: | InChIKey=JWPAJVNQGTWPMI-WIUDPPPLSA-N |
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