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CHEBI:225269 - 18-hydroxydecaturin B

ChEBI IDCHEBI:225269
ChEBI Name18-hydroxydecaturin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H35NO7
Net Charge0
Average Mass521.610
Monoisotopic Mass521.24135
SMILESCC1=C[C@H](O)[C@@H]2[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@@]2(C)[C@@]12Oc1cc(-c3cccnc3)oc(=O)c1[C@@H]2O
InChIInChI=1S/C30H35NO7/c1-16-12-18(32)23-27(4,8-7-21-26(2,3)29(35)10-9-28(21,23)15-36-29)30(16)24(33)22-20(38-30)13-19(37-25(22)34)17-6-5-11-31-14-17/h5-6,11-14,18,21,23-24,32-33,35H,7-10,15H2,1-4H3/t18-,21-,23-,24-,27+,28+,29-,30+/m0/s1
InChIKeyOLQHVBYCENIOKB-ANBDSNBWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2015.06.009)
ChEBI Ontology
Outgoing Relation(s)
18-hydroxydecaturin B (CHEBI:225269) is a organic heterotricyclic compound (CHEBI:26979)
18-hydroxydecaturin B (CHEBI:225269) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2R,3S,3'S,6S,7R,10R,12S)-3,3',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
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44210881ChemSpider