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CHEBI:210570 - Macrophorin F

ChEBI IDCHEBI:210570
ChEBI NameMacrophorin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O7
Net Charge0
Average Mass446.540
Monoisotopic Mass446.23045
SMILESC=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@H](OC(=O)CC(=O)O)C(CO)=CC2=O
InChIInChI=1S/C25H34O7/c1-14-6-7-17-23(2,3)8-5-9-24(17,4)16(14)12-25-18(27)10-15(13-26)21(22(25)32-25)31-20(30)11-19(28)29/h10,16-17,21-22,26H,1,5-9,11-13H2,2-4H3,(H,28,29)/t16-,17-,21+,22+,24+,25-/m0/s1
InChIKeyRAACRXLODLOMEG-QNRNBLPNSA-N
Species of MetaboliteComponentSourceComments
Botryosphaeria berengeriana (ncbitaxon:509207) - PubMed (27393596)
ChEBI Ontology
Outgoing Relation(s)
Macrophorin F (CHEBI:210570) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
3-[[(1R,2R,6R)-6-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-3-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]-3-oxopropanoic acid
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78437423ChemSpider