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CHEBI:221190 - Macrobrevin

ChEBI IDCHEBI:221190
ChEBI NameMacrobrevin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC42H66O6
Net Charge0
Average Mass666.984
Monoisotopic Mass666.48594
SMILESCCC(C)C(O)/C=C/C(C)=C/C=C/C(C)CC(C)C1CC(O)C(C)/C=C/C=C/C(C)C/C=C(\C)C(O)/C=C/CC(O)C(C)/C=C/C(=O)O1
InChIInChI=1S/C42H66O6/c1-10-32(5)39(45)25-22-30(3)16-13-17-31(4)27-36(9)41-28-40(46)33(6)18-12-11-15-29(2)21-23-34(7)37(43)19-14-20-38(44)35(8)24-26-42(47)48-41/h11-19,22-26,29,31-33,35-41,43-46H,10,20-21,27-28H2,1-9H3/b15-11+,17-13+,18-12+,19-14+,25-22+,26-24+,30-16+,34-23+
InChIKeyHIQQTBOXDUIOIH-NYWBANMMSA-N
ChEBI Ontology
Outgoing Relation(s)
Macrobrevin (CHEBI:221190) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3E,8E,11E,15E,17E)-6,10,20-trihydroxy-22-[(5E,7E,9E)-11-hydroxy-4,8,12-trimethyltetradeca-5,7,9-trien-2-yl]-5,11,14,19-tetramethyl-1-oxacyclodocosa-3,8,11,15,17-pentaen-2-one