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CHEBI:213352 - Brevione O

ChEBI IDCHEBI:213352
ChEBI NameBrevione O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O6
Net Charge0
Average Mass456.579
Monoisotopic Mass456.25119
SMILESCC1=C[C@H](O)[C@@H]2[C@@]3(C)[C@H](O)CC(=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12Cc1c(c(C)c(C)oc1=O)O2
InChIInChI=1S/C27H36O6/c1-13-10-17(28)22-25(6,9-8-18-24(4,5)19(29)11-20(30)26(18,22)7)27(13)12-16-21(33-27)14(2)15(3)32-23(16)31/h10,17-18,20,22,28,30H,8-9,11-12H2,1-7H3/t17-,18-,20+,22-,25+,26+,27-/m0/s1
InChIKeyUJJKLIHXFLEXAX-VOHPHSCYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29596354)
ChEBI Ontology
Outgoing Relation(s)
Brevione O (CHEBI:213352) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(2S,4'R,4'aS,4'bR,5'S,8'aR,10'aR)-4',5'-dihydroxy-1',1',4'a,6,7,7',8'a-heptamethylspiro[3H-uro[3,2-c]pyran-2,8'-4,4b,5,9,10,10a-hexahydro-3H-phenanthrene]-2',4-dione
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65323203ChemSpider