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CHEBI:175952 - Artenolide

ChEBI IDCHEBI:175952
ChEBI NameArtenolide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O8
Net Charge0
Average Mass528.642
Monoisotopic Mass528.27232
SMILES[H][C@@]12CC[C@](C)(O)C3=C(C4(C)CC3C3(C4)C(=O)O[C@]4([H])C5C(=CC(O)C5(C)O)C(C)(O)CC[C@@]34[H])[C@@]1([H])OC(=O)[C@H]2C
InChIInChI=1S/C30H40O8/c1-13-14-6-8-28(4,35)19-17-11-26(2,21(19)22(14)37-24(13)32)12-30(17)15-7-9-27(3,34)16-10-18(31)29(5,36)20(16)23(15)38-25(30)33/h10,13-15,17-18,20,22-23,31,34-36H,6-9,11-12H2,1-5H3/t13-,14-,15+,17?,18?,20?,22-,23-,26?,27?,28-,29?,30?/m0/s1
InChIKeyINWDFSUZZFAFBJ-HXCFRXSLSA-N
ChEBI Ontology
Outgoing Relation(s)
Artenolide (CHEBI:175952) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3'S,3aS,6'S,7'S,9bS,10'S)-6,8,9,10'-tetrahydroxy-1',6,6',9,10'-pentamethylspiro[3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]uran-3,13'-4-oxatetracyclo[10.2.1.02,11.03,7]pentadec-2(11)-ene]-2,5'-dione
Manual XrefsDatabases
HMDB0037565HMDB
35014435ChemSpider