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CHEBI:224658 - Secochalasin B

ChEBI IDCHEBI:224658
ChEBI NameSecochalasin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO6
Net Charge0
Average Mass447.572
Monoisotopic Mass447.26209
SMILESCOC(=O)CCC(=O)[C@@]12C(=O)N[C@@H](CC(C)C)[C@@H]1[C@H](C)C(C)=C[C@@H]2/C=C(\C)CCC(=O)O
InChIInChI=1S/C25H37NO6/c1-14(2)11-19-23-17(5)16(4)13-18(12-15(3)7-9-21(28)29)25(23,24(31)26-19)20(27)8-10-22(30)32-6/h12-14,17-19,23H,7-11H2,1-6H3,(H,26,31)(H,28,29)/b15-12+/t17-,18+,19+,23+,25-/m1/s1
InChIKeyWXMBEWOWWVNEJV-VGTUEEEGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus micronesiensis (ncbitaxon:1507543) - PubMed (31419139)
ChEBI Ontology
Outgoing Relation(s)
Secochalasin B (CHEBI:224658) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(E)-5-[(1S,3aS,4S,7S,7aR)-3a-(4-methoxy-4-oxobutanoyl)-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4-methylpent-4-enoic acid