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CHEBI:204226 - Decaturin C

ChEBI IDCHEBI:204226
ChEBI NameDecaturin C
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SubmitterMetaboLights
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FormulaC30H35NO5
Net Charge0
Average Mass489.612
Monoisotopic Mass489.25152
SMILESCC1=CC[C@@H]2[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]12Cc1c(cc(-c3cccnc3)oc1=O)O2
InChIInChI=1S/C30H35NO5/c1-18-7-8-24-27(4,10-9-23-26(2,3)30(33)12-11-28(23,24)17-34-30)29(18)15-20-22(36-29)14-21(35-25(20)32)19-6-5-13-31-16-19/h5-7,13-14,16,23-24,33H,8-12,15,17H2,1-4H3/t23-,24-,27+,28+,29-,30-/m0/s1
InChIKeyVVYVYDOUCPUFSI-XHVWOXFNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (15787428)
ChEBI Ontology
Outgoing Relation(s)
Decaturin C (CHEBI:204226) is a organic heterotricyclic compound (CHEBI:26979)
Decaturin C (CHEBI:204226) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,6S,7R,10R,12S)-12-hydroxy-5,7,11,11-tetramethyl-6'-pyridin-3-ylspiro[13-oxatetracyclo[10.2.2.01,10.02,7]hexadec-4-ene-6,2'-3H-uro[3,2-c]pyran]-4'-one
Manual XrefsDatabases
10216972ChemSpider