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CHEBI:201619 - Beticolin 4

ChEBI IDCHEBI:201619
ChEBI NameBeticolin 4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H23ClO14
Net Charge0
Average Mass654.964
Monoisotopic Mass654.07763
SMILESCOC(=O)[C@]12Oc3c(Cl)c4c(c(O)c3C(O)=C1C(=O)CC[C@@H]2O)[C@@H]1C(=O)C2=C(O)c3c(O)ccc(O)c3C(=O)[C@@]2(C4)C2OC21CO
InChIInChI=1S/C31H23ClO14/c1-44-28(43)31-12(37)5-4-11(36)17(31)23(40)16-21(38)13-8(20(32)25(16)45-31)6-29-19(24(41)18(13)30(7-33)27(29)46-30)22(39)14-9(34)2-3-10(35)15(14)26(29)42/h2-3,12,18,27,33-35,37-40H,4-7H2,1H3/t12-,18+,27?,29-,30?,31+/m0/s1
InChIKeyITQHDLVXISLMLJ-VWZRQTOHSA-N
Species of MetaboliteComponentSourceComments
Cercospora beticola (ncbitaxon:122368) - DOI (10.1016/s0040-4039(00)60324-6)
ChEBI Ontology
Outgoing Relation(s)
Beticolin 4 (CHEBI:201619) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (1R,7S,8S,17S)-4-chloro-8,13,15,20,22,25-hexahydroxy-30-(hydroxymethyl)-11,18,27-trioxo-6,29-dioxaoctacyclo[15.10.3.01,19.03,16.05,14.07,12.021,26.028,30]triaconta-3(16),4,12,14,19,21,23,25-octaene-7-carboxylate
Manual XrefsDatabases
78440866ChemSpider