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CHEBI:201150 - 15-hydroxydecaturin A

ChEBI IDCHEBI:201150
ChEBI Name15-hydroxydecaturin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H35NO7
Net Charge0
Average Mass521.610
Monoisotopic Mass521.24135
SMILESCC1=CC[C@@H]2[C@]34CC[C@](O)(OC3)C(C)(C)[C@]4(O)CC[C@@]2(C)[C@@]12Oc1cc(-c3cccnc3)oc(=O)c1[C@@H]2O
InChIInChI=1S/C30H35NO7/c1-17-7-8-21-26(4,9-11-28(34)25(2,3)29(35)12-10-27(21,28)16-36-29)30(17)23(32)22-20(38-30)14-19(37-24(22)33)18-6-5-13-31-15-18/h5-7,13-15,21,23,32,34-35H,8-12,16H2,1-4H3/t21-,23-,26+,27-,28+,29-,30+/m0/s1
InChIKeyIASMJIKTAVKWAG-DOMNMBBASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26670415)
ChEBI Ontology
Outgoing Relation(s)
15-hydroxydecaturin A (CHEBI:201150) is a steroid lactone (CHEBI:26766)
IUPAC Name 
(1R,2S,3'S,6S,7R,10S,12S)-3',10,12-trihydroxy-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
44210936ChemSpider