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CHEBI:200607 - Mniopetal B

ChEBI IDCHEBI:200607
ChEBI NameMniopetal B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O8
Net Charge0
Average Mass466.571
Monoisotopic Mass466.25667
SMILESCCCCCCCC[C@@H](O)C(=O)O[C@H]1CC(C)(C)[C@@H]2CC=C(C=O)[C@@H]3[C@@H](O)OC(=O)[C@@]32[C@H]1O
InChIInChI=1S/C25H38O8/c1-4-5-6-7-8-9-10-16(27)21(29)32-17-13-24(2,3)18-12-11-15(14-26)19-22(30)33-23(31)25(18,19)20(17)28/h11,14,16-20,22,27-28,30H,4-10,12-13H2,1-3H3/t16-,17+,18+,19-,20+,22+,25-/m1/s1
InChIKeyTVPQRCOMJLYKTF-XCIMQVMHSA-N
ChEBI Ontology
Outgoing Relation(s)
Mniopetal B (CHEBI:200607) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(3S,3aS,6aS,9S,10R,10aR)-4-ormyl-3,10-dihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzouran-9-yl] (2R)-2-hydroxydecanoate
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78439621ChemSpider