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CHEBI:208883 - Verruculosin B

ChEBI IDCHEBI:208883
ChEBI NameVerruculosin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H28O13
Net Charge0
Average Mass620.563
Monoisotopic Mass620.15299
SMILESCOC(=O)C[C@H]1OC(=O)c2c(O)cc(C)c3c2C1=C(O)[C@@H]1[C@]24COC(=O)c5c(O)cc(C)c(c52)C(=O)[C@@H]([C@@H]4OC(C)=O)[C@]31OC
InChIInChI=1S/C32H28O13/c1-10-6-14(35)19-23-17(10)25(37)24-28(44-12(3)33)31(23,9-43-29(19)39)27-26(38)20-15(8-16(36)41-4)45-30(40)18-13(34)7-11(2)22(21(18)20)32(24,27)42-5/h6-7,15,24,27-28,34-35,38H,8-9H2,1-5H3/t15-,24+,27-,28+,31+,32-/m1/s1
InChIKeyAIYDSFQELMTKRM-OLWHTFOWSA-N
Species of MetaboliteComponentSourceComments
Talaromyces verruculosus (ncbitaxon:198730) - PubMed (31480659)
ChEBI Ontology
Outgoing Relation(s)
Verruculosin B (CHEBI:208883) has functional parent tetracarboxylic acid (CHEBI:35742)
Verruculosin B (CHEBI:208883) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl 2-[(1R,2S,5R,13S,14S,24S)-24-acetyloxy-3,9,19-trihydroxy-13-methoxy-11,17-dimethyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-3,8,10,12(26),16(25),17,19-heptaen-5-yl]acetate
Manual XrefsDatabases
81131471ChemSpider