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CHEBI:225527 - Subglutinol D

ChEBI IDCHEBI:225527
ChEBI NameSubglutinol D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O5
Net Charge0
Average Mass444.612
Monoisotopic Mass444.28757
SMILESC=C1CC[C@H]2[C@]3(C)C[C@@H](CC(C)CO)O[C@H]3CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C27H40O5/c1-15(14-28)11-19-13-27(6)22-8-7-16(2)21(26(22,5)10-9-23(27)32-19)12-20-24(29)17(3)18(4)31-25(20)30/h15,19,21-23,28-29H,2,7-14H2,1,3-6H3/t15?,19-,21-,22-,23+,26-,27+/m1/s1
InChIKeyCYSPQTZOJNHPSJ-DPUHTPCNSA-N
Species of MetaboliteComponentSourceComments
Metarhizium robertsii ARSEF 23 (ncbitaxon:655844) - PubMed (27189118)
ChEBI Ontology
Outgoing Relation(s)
Subglutinol D (CHEBI:225527) is a naphthofuran (CHEBI:39270)
IUPAC Name 
3-[[(2R,3aS,5aR,6R,9aR,9bS)-2-(3-hydroxy-2-methylpropyl)-5a,9b-dimethyl-7-methylidene-2,3a,4,5,6,8,9,9a-octahydro-1H-benzo[e][1]benzouran-6-yl]methyl]-4-hydroxy-5,6-dimethylpyran-2-one
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78438766ChemSpider