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CHEBI:197742 - Beticolin 0

ChEBI IDCHEBI:197742
ChEBI NameBeticolin 0
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H23ClO12
Net Charge0
Average Mass622.966
Monoisotopic Mass622.08780
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(C=C1C)C4
InChIInChI=1S/C31H23ClO12/c1-9-7-30-8-10-16(15(9)24(38)21(30)25(39)17-11(33)3-4-12(34)18(17)28(30)41)23(37)19-26(40)20-13(35)5-6-14(36)31(20,29(42)43-2)44-27(19)22(10)32/h3-4,7,14-15,33-34,36-37,39-40H,5-6,8H2,1-2H3/t14-,15-,30-,31-/m1/s1
InChIKeyLATFATAGFWRKGB-QLFXGZKSSA-N
Species of MetaboliteComponentSourceComments
Cercospora beticola (ncbitaxon:122368) - DOI (10.1016/0040-4039(96)00506-0)
ChEBI Ontology
Outgoing Relation(s)
Beticolin 0 (CHEBI:197742) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (1S,7S,8R,17R)-4-chloro-8,13,15,20,22,25-hexahydroxy-29-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate
Manual XrefsDatabases
78442438ChemSpider