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CHEBI:201009 - JBIR-79

ChEBI IDCHEBI:201009
ChEBI NameJBIR-79
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O8
Net Charge0
Average Mass484.545
Monoisotopic Mass484.20972
SMILESC=CC(C)(CO)c1c(O)cc2c(c1O)C(=O)C1=C(C2=O)[C@@H]2C[C@@H](C)[C@@H](OC(C)=O)C[C@@H]2C(C)(C)O1
InChIInChI=1S/C27H32O8/c1-7-27(6,11-28)21-17(30)9-15-19(23(21)32)24(33)25-20(22(15)31)14-8-12(2)18(34-13(3)29)10-16(14)26(4,5)35-25/h7,9,12,14,16,18,28,30,32H,1,8,10-11H2,2-6H3/t12-,14-,16+,18+,27?/m1/s1
InChIKeyFQVIUWLPHLZGEM-DELUNJIVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20959848)
ChEBI Ontology
Outgoing Relation(s)
JBIR-79 (CHEBI:201009) is a organic heterotricyclic compound (CHEBI:26979)
JBIR-79 (CHEBI:201009) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2R,3S,4aS,12bR)-8,10-dihydroxy-9-(1-hydroxy-2-methylbut-3-en-2-yl)-2,5,5-trimethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydronaphtho[2,3-c]isochromen-3-yl] acetate
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28288363ChemSpider