CHEBI:175333 - Colupox b

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ChEBI Name Colupox b
ChEBI ID CHEBI:175333
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H36O5
Net Charge 0
Average Mass 416.558
Monoisotopic Mass 416.25627
InChI InChI=1S/C25H36O5/c1-13(2)9-10-25-12-17(14(3)4)29-23(25)16(11-18-24(7,8)30-18)21(27)19(22(25)28)20(26)15(5)6/h9,14-15,17-18,27H,10-12H2,1-8H3
InChIKey NXEOSKBPBXJXMN-UHFFFAOYSA-N
SMILES O1C(C1(C)C)CC2=C3OC(CC3(CC=C(C)C)C(=O)C(=C2O)C(=O)C(C)C)C(C)C
ChEBI Ontology
Outgoing Colupox b (CHEBI:175333) is a benzofurans (CHEBI:35259)
IUPAC Name
7-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-3a-(3-methylbut-2-enyl)-5-(2-methylpropanoyl)-2-propan-2-yl-2,3-dihydro-1-benzouran-4-one