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CHEBI:48200 - griseusin B

ChEBI IDCHEBI:48200
ChEBI Namegriseusin B
Stars
Last Modified6 June 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H22O10
Net Charge0
Average Mass446.408
Monoisotopic Mass446.12130
SMILESCC(=O)O[C@@H]1C[C@@H](C)O[C@]2(O[C@H](CC(=O)O)CC3=C2C(=O)c2c(O)cccc2C3=O)[C@H]1O
InChIInChI=1S/C22H22O10/c1-9-6-15(30-10(2)23)21(29)22(31-9)18-13(7-11(32-22)8-16(25)26)19(27)12-4-3-5-14(24)17(12)20(18)28/h3-5,9,11,15,21,24,29H,6-8H2,1-2H3,(H,25,26)/t9-,11+,15-,21+,22-/m1/s1
InChIKeyZALAFWZWSLVCID-VXUQJGMHSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
griseusin B (CHEBI:48200) has role metabolite (CHEBI:25212)
griseusin B (CHEBI:48200) is a p-quinones (CHEBI:25830)
griseusin B (CHEBI:48200) is a benzoisochromanequinone (CHEBI:48129)
IUPAC Name 
[(1R,3S,3'S,4'R,6'R)-4'-acetoxy-3',9-dihydroxy-6'-methyl-5,10-dioxo-3,3',4,4',5,5',6',10-octahydrospiro[naphtho[2,3-c]pyran-1,2'-pyran]-3-yl]acetic acid
Registry NumbersSources
Beilstein:5184599Beilstein