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CHEBI:209788 - Arigsugacin I

ChEBI IDCHEBI:209788
ChEBI NameArigsugacin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O7
Net Charge0
Average Mass470.562
Monoisotopic Mass470.23045
SMILESCOc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)CC[C@@H](O)C(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1
InChIInChI=1S/C27H34O7/c1-23(2)21(28)10-11-24(3)26(23,30)13-12-25(4)27(24,31)15-18-20(34-25)14-19(33-22(18)29)16-6-8-17(32-5)9-7-16/h6-9,14,21,28,30-31H,10-13,15H2,1-5H3/t21-,24+,25-,26-,27+/m1/s1
InChIKeyUAHDIKFHLMWTTE-ZPOGELFWSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SK5GW1L (ncbitaxon:1329778) - PubMed (24081685)
ChEBI Ontology
Outgoing Relation(s)
Arigsugacin I (CHEBI:209788) is a organic heterotricyclic compound (CHEBI:26979)
Arigsugacin I (CHEBI:209788) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2S,5R,7R,10R)-1,5,7-trihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-16-one
Manual XrefsDatabases
30771467ChemSpider