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CHEBI:213882 - Brevione I

ChEBI IDCHEBI:213882
ChEBI NameBrevione I
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SubmitterMetaboLights
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FormulaC27H34O5
Net Charge0
Average Mass438.564
Monoisotopic Mass438.24062
SMILESCC1=C[C@H](O)[C@@H]2[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12Cc1c(c(C)c(C)oc1=O)O2
InChIInChI=1S/C27H34O5/c1-14-12-18(28)22-25(6)10-9-20(29)24(4,5)19(25)8-11-26(22,7)27(14)13-17-21(32-27)15(2)16(3)31-23(17)30/h9-10,12,18-19,22,28H,8,11,13H2,1-7H3/t18-,19-,22+,25-,26+,27-/m0/s1
InChIKeyAEGIBONSXCYUQG-OBSXHCQDSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (22412815)
ChEBI Ontology
Outgoing Relation(s)
Brevione I (CHEBI:213882) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(2S,4'aS,4'bR,5'S,8'aR,10'aR)-5'-hydroxy-1',1',4'a,6,7,7',8'a-heptamethylspiro[3H-uro[3,2-c]pyran-2,8'-5,9,10,10a-tetrahydro-4bH-phenanthrene]-2',4-dione
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29214755ChemSpider