CHEBI:214676 - Minutellin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Minutellin B
ChEBI ID CHEBI:214676
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H26O7
Net Charge 0
Average Mass 438.476
Monoisotopic Mass 438.16785
InChI InChI=1S/C25H26O7/c1-4-5-6-7-17(27)22-23-16-12-31-19(21-13(2)8-15(26)11-18(21)28)9-14(16)10-20(29)25(23,3)32-24(22)30/h9-10,12,15,26H,4-8,11H2,1-3H3/t15-,25-/m0/s1
InChIKey PKVRJRHVMISYNO-MQNRADLISA-N
SMILES O=C1C=C2C(=COC(=C2)C=3C(=O)C[C@@H](O)CC3C)C=4[C@]1(OC(=O)C4C(=O)CCCCC)C
Metabolite of Species Details
Jackrogersella minutella (NCBI:txid1955266) See: PubMed
ChEBI Ontology
Outgoing Minutellin B (CHEBI:214676) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(6aR)-9-hexanoyl-3-[(4S)-4-hydroxy-2-methyl-6-oxocyclohexen-1-yl]-6a-methyluro[2,3-h]isochromene-6,8-dione
Manual Xref Database
78443441 ChemSpider
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