Term: | Xanthoquinodin B1 |
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Accession: | CHEBI:199993
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Synonyms: | exact_synonym: | methyl (1S,12S,13S,17S)-5,7,12,20,22-pentahydroxy-24-methyl-9,18,27-trioxo-14-oxaheptacyclo[15.10.2.01,19.03,16.06,15.08,13.021,26]nonacosa-3,5,7,15,19,21(26),22,24,28-nonaene-13-carboxylate |
| related_synonym: | Formula=C31H24O11; InChI=1S/C31H24O11/c1-11-7-14-20(16(33)8-11)25(37)23-24(36)13-5-6-30(23,28(14)39)10-12-9-17(34)21-26(38)22-15(32)3-4-18(35)31(22,29(40)41-2)42-27(21)19(12)13/h5-9,13,18,33-35,37-38H,3-4,10H2,1-2H3/t13-,18-,30+,31+/m0/s1; InChIKey=HVHUQDDJNAABOF-YNXNGXQESA-N; SMILES=O=C1C2=C(C(O)=C3[C@]14C=C[C@H](C3=O)C5=C(C4)C=C(O)C6=C5O[C@]7(C(C(=O)CC[C@@H]7O)=C6O)C(=O)OC)C(O)=CC(=C2)C |
| xref: | Chemspider:78436567 |
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