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CHEBI:221392 - Panglimycin B

ChEBI IDCHEBI:221392
ChEBI NamePanglimycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O7
Net Charge0
Average Mass360.362
Monoisotopic Mass360.12090
SMILESC[C@H]1CC(=O)C2=C(C[C@H](O)[C@@]3(O)[C@@H]2C(=O)c2cccc(O)c2[C@H]3O)[C@@H]1O
InChIInChI=1S/C19H20O7/c1-7-5-11(21)13-9(16(7)23)6-12(22)19(26)15(13)17(24)8-3-2-4-10(20)14(8)18(19)25/h2-4,7,12,15-16,18,20,22-23,25-26H,5-6H2,1H3/t7-,12-,15-,16+,18+,19+/m0/s1
InChIKeyIRQGVRMONXBOEN-IWHFFKNKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (18081255)
ChEBI Ontology
Outgoing Relation(s)
Panglimycin B (CHEBI:221392) is a tetralins (CHEBI:36786)
IUPAC Name 
(3S,4R,6S,6aS,7R,12aR)-4,6,6a,7,8-pentahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione
Manual XrefsDatabases
78440415ChemSpider