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CHEBI:198368 - JBIR-80

ChEBI IDCHEBI:198368
ChEBI NameJBIR-80
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESC=CC(C)(CO)c1c(O)cc2c(c1O)C(=O)C1=C(C2=O)[C@@H]2C=C(C)CC[C@@H]2C(C)(C)O1
InChIInChI=1S/C25H28O6/c1-6-25(5,11-26)19-16(27)10-14-17(21(19)29)22(30)23-18(20(14)28)13-9-12(2)7-8-15(13)24(3,4)31-23/h6,9-10,13,15,26-27,29H,1,7-8,11H2,2-5H3/t13-,15+,25?/m1/s1
InChIKeyXKDSORAUOWNWTM-VQXHNEEJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20959848)
ChEBI Ontology
Outgoing Relation(s)
JBIR-80 (CHEBI:198368) is a organic heterotricyclic compound (CHEBI:26979)
JBIR-80 (CHEBI:198368) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4aS,12bR)-8,10-dihydroxy-9-(1-hydroxy-2-methylbut-3-en-2-yl)-2,5,5-trimethyl-3,4,4a,12b-tetrahydronaphtho[3,2-c]isochromene-7,12-dione
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78441877ChemSpider