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CHEBI:208879 - Verruculosin A

ChEBI IDCHEBI:208879
ChEBI NameVerruculosin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H28O12
Net Charge0
Average Mass604.564
Monoisotopic Mass604.15808
SMILESCO[C@@]12c3c(C)cc(O)c4c3C3=C(O[C@](C)(O)C[C@H]3OC4=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O
InChIInChI=1S/C32H28O12/c1-10-6-14(35)18-22-16(10)24(36)23-27(42-12(3)33)31(22,9-41-28(18)37)26-25-19-15(8-30(4,39)44-25)43-29(38)17-13(34)7-11(2)21(20(17)19)32(23,26)40-5/h6-7,15,23,26-27,34-35,39H,8-9H2,1-5H3/t15-,23+,26-,27+,30+,31+,32-/m1/s1
InChIKeyDEARCXHXCAICCK-HGRCUTOXSA-N
Species of MetaboliteComponentSourceComments
Talaromyces verruculosus (ncbitaxon:198730) - PubMed (31480659)
ChEBI Ontology
Outgoing Relation(s)
Verruculosin A (CHEBI:208879) is a organic heterotricyclic compound (CHEBI:26979)
Verruculosin A (CHEBI:208879) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2S,3R,13S,14S,22R,24S,28S)-8,18,24-trihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,25-trioxaoctacyclo[13.10.2.13,7.13,13.02,14.019,27.022,26.011,29]nonacosa-1(26),7,9,11(29),15(27),16,18-heptaen-28-yl] acetate
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81131470ChemSpider