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CHEBI:220272 - Acremoxanthone C

ChEBI IDCHEBI:220272
ChEBI NameAcremoxanthone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H26O12
Net Charge0
Average Mass614.559
Monoisotopic Mass614.14243
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)=C1C(=O)C=C[C@@H]2O
InChIInChI=1S/C33H26O12/c1-12-8-16-22(18(36)9-12)27(40)25-26(39)15-6-7-32(25,30(16)44-13(2)34)11-14-10-19(37)23-28(41)24-17(35)4-5-20(38)33(24,31(42)43-3)45-29(23)21(14)15/h4-10,15,20,30,36-38,40-41H,11H2,1-3H3/t15-,20-,30-,32-,33-/m0/s1
InChIKeySEXJNEQGMNZHOO-IOBFKYNLSA-N
ChEBI Ontology
Outgoing Relation(s)
Acremoxanthone C (CHEBI:220272) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (1R,12S,13R,17S,27S)-27-acetyloxy-5,7,12,20,22-pentahydroxy-24-methyl-9,18-dioxo-14-oxaheptacyclo[15.10.2.01,19.03,16.06,15.08,13.021,26]nonacosa-3,5,7,10,15,19,21(26),22,24,28-decaene-13-carboxylate