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CHEBI:200512 - Hybocarpone

ChEBI IDCHEBI:200512
ChEBI NameHybocarpone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H24O13
Net Charge0
Average Mass544.465
Monoisotopic Mass544.12169
SMILESCC[C@]12C(=O)c3c(O)c(C)c(O)c(O)c3C(=O)[C@@]1(O)O[C@]1(O)C(=O)c3c(O)c(O)c(C)c(O)c3C(=O)[C@]21CC
InChIInChI=1S/C26H24O13/c1-5-23-19(33)9-11(17(31)15(29)7(3)13(9)27)21(35)25(23,37)39-26(38)22(36)12-10(20(34)24(23,26)6-2)14(28)8(4)16(30)18(12)32/h27-32,37-38H,5-6H2,1-4H3/t23-,24-,25-,26-/m1/s1
InChIKeyMZNMSRGMWTWFRF-VEYUFSJPSA-N
Species of MetaboliteComponentSourceComments
Lecanora hybocarpa (ncbitaxon:394998) - DOI (10.1016/s0040-4039(99)01220-4)
ChEBI Ontology
Outgoing Relation(s)
Hybocarpone (CHEBI:200512) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1S,2S,11S,13S)-1,2-diethyl-5,7,8,11,13,16,17,19-octahydroxy-6,18-dimethyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaene-3,10,14,21-tetrone
Manual XrefsDatabases
8635442ChemSpider