CHEBI:201009 - JBIR-79

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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-79
ChEBI ID CHEBI:201009
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H32O8
Net Charge 0
Average Mass 484.545
Monoisotopic Mass 484.20972
InChI InChI=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
InChIKey FQVIUWLPHLZGEM-DELUNJIVSA-N
SMILES O=C1C=2OC([C@H]3C[C@H](OC(=O)C)[C@@H](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-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
Manual Xref Database
28288363 ChemSpider
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