CHEBI:175765 - 11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate)

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ChEBI Name 11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate)
ChEBI ID CHEBI:175765
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H36O9
Net Charge 0
Average Mass 480.554
Monoisotopic Mass 480.23593
InChI InChI=1S/C25H36O9/c1-14(2)7-19(26)33-18-9-17-16(11-30-21(28)10-24(5,6)29)12-31-23(22(17)25(18)13-32-25)34-20(27)8-15(3)4/h9,12,14-15,18,22-23,29H,7-8,10-11,13H2,1-6H3
InChIKey QHYRSOLVOPZTHU-UHFFFAOYSA-N
SMILES O1C2(C3C(=CC2OC(=O)CC(C)C)C(=COC3OC(=O)CC(C)C)COC(=O)CC(O)(C)C)C1
ChEBI Ontology
Outgoing 11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate) (CHEBI:175765) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name
[1,6-bis(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-hydroxy-3-methylbutanoate
Manual Xrefs Databases
35013651 ChemSpider
HMDB0033654 HMDB
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