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CHEBI:220276 - Acremoxanthone D

ChEBI IDCHEBI:220276
ChEBI NameAcremoxanthone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H26O13
Net Charge0
Average Mass630.558
Monoisotopic Mass630.13734
SMILESCOC(=O)[C@]12Oc3c(c(O)cc4c3[C@@H]3C=C[C@]5(C4)C(=C(O)c4c(O)cc(C)cc4[C@@H]5OC(C)=O)C3=O)C(=O)[C@]1(O)C(=O)C=C[C@@H]2O
InChIInChI=1S/C33H26O13/c1-12-8-16-22(17(35)9-12)26(40)24-25(39)15-6-7-31(24,29(16)45-13(2)34)11-14-10-18(36)23-27(21(14)15)46-33(30(42)44-3)20(38)5-4-19(37)32(33,43)28(23)41/h4-10,15,20,29,35-36,38,40,43H,11H2,1-3H3/t15-,20-,29-,31-,32+,33-/m0/s1
InChIKeyFCWZMGVJCVLDHZ-GMZZAYRWSA-N
ChEBI Ontology
Outgoing Relation(s)
Acremoxanthone D (CHEBI:220276) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl (1R,8R,12S,13R,17S,27S)-27-acetyloxy-5,8,12,20,22-pentahydroxy-24-methyl-7,9,18-trioxo-14-oxaheptacyclo[15.10.2.01,19.03,16.06,15.08,13.021,26]nonacosa-3,5,10,15,19,21(26),22,24,28-nonaene-13-carboxylate