CHEBI:198368 - JBIR-80

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name JBIR-80
ChEBI ID CHEBI:198368
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O6
Net Charge 0
Average Mass 424.493
Monoisotopic Mass 424.18859
InChI InChI=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
InChIKey XKDSORAUOWNWTM-VQXHNEEJSA-N
SMILES O=C1C=2OC([C@H]3CCC(=C[C@H]3C2C(=O)C=4C1=C(O)C(=C(O)C4)C(C=C)(CO)C)C)(C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78441877 ChemSpider
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