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CHEBI:204256 - Microsphaerin D

ChEBI IDCHEBI:204256
ChEBI NameMicrosphaerin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O10
Net Charge0
Average Mass546.528
Monoisotopic Mass546.15260
SMILESCc1cc(O)c(C(=O)c2c(C)c(O)c3c(c2O)[C@@H]2CC3(O)[C@]3(C)Oc4cc(C)cc(O)c4C(O)=C3C2=O)c(O)c1
InChIInChI=1S/C30H26O10/c1-10-5-14(31)20(15(32)6-10)27(37)18-12(3)24(34)22-19(26(18)36)13-9-30(22,39)29(4)23(25(13)35)28(38)21-16(33)7-11(2)8-17(21)40-29/h5-8,13,31-34,36,38-39H,9H2,1-4H3/t13-,29+,30?/m0/s1
InChIKeyLHEOOXPEUURSDN-BATNOZMFSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsisspecies (ncbitaxon:1874263) - DOI (10.1016/j.tet.2008.08.038)
ChEBI Ontology
Outgoing Relation(s)
Microsphaerin D (CHEBI:204256) is a xanthenes (CHEBI:38835)
IUPAC Name 
(2R,13S)-16-(2,6-dihydroxy-4-methylbenzoyl)-1,8,10,15,18-pentahydroxy-2,6,17-trimethyl-3-oxapentacyclo[11.6.1.02,11.04,9.014,19]icosa-4,6,8,10,14,16,18-heptaen-12-one
Manual XrefsDatabases
78440184ChemSpider