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CHEBI:221673 - JBIR-136

ChEBI IDCHEBI:221673
ChEBI NameJBIR-136
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILESCO[C@@H]1CC(=O)c2c(cc(C)c3c2O[C@H](C)[C@]3(C)[C@H](O)CC=C(C)C)[C@H]1O
InChIInChI=1S/C22H30O5/c1-11(2)7-8-17(24)22(5)13(4)27-21-18-14(9-12(3)19(21)22)20(25)16(26-6)10-15(18)23/h7,9,13,16-17,20,24-25H,8,10H2,1-6H3/t13-,16-,17-,20-,22-/m1/s1
InChIKeyYTSDPGXQZGDXTJ-NWUSBDAISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22929370)
ChEBI Ontology
Outgoing Relation(s)
JBIR-136 (CHEBI:221673) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(2R,3S,6R,7R)-6-hydroxy-3-[(1R)-1-hydroxy-4-methylpent-3-enyl]-7-methoxy-2,3,4-trimethyl-2,6,7,8-tetrahydrobenzo[g][1]benzouran-9-one