Term: | Aurantinin C |
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Accession: | CHEBI:218874
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Synonyms: | exact_synonym: | (7E,9E,11E)-3-hydroxy-12-[4-hydroxy-3,7,15,19-tetramethyl-8,10-dioxo-16-[(2S,3S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-9-oxatetracyclo[9.9.0.02,6.012,17]icosa-1,6,18-trien-20-yl]-2,5,7-trimethyldodeca-7,9,11-trienoic acid |
| related_synonym: | Formula=C44H62O12; InChI=1S/C44H62O12/c1-20(16-21(2)17-32(45)26(7)41(50)51)12-10-9-11-13-28-23(4)18-31-29(15-14-22(3)40(31)55-44-39(49)38(48)37(47)27(8)54-44)36-35(28)34-25(6)33(46)19-30(34)24(5)42(52)56-43(36)53/h9-13,18,21-22,25-29,31-33,36-40,44-49H,14-17,19H2,1-8H3,(H,50,51)/b10-9+,13-11+,20-12+,30-24?,35-34?/t21?,22?,25?,26?,27-,28?,29?,31?,32?,33?,36?,37-,38?,39-,40?,44+/m0/s1; InChIKey=KSWWJVWRJTVGFO-OWYHQYBRSA-N; SMILES=O=C1OC(=O)C2C(C(C(C)=CC3C2CCC(C3O[C@H]4O[C@H]([C@H](O)C([C@@H]4O)O)C)C)/C=C/C=C/C=C(/CC(CC(O)C(C(=O)O)C)C)\\C)=C5C(=C1C)CC(O)C5C |
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