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CHEBI:188644 - brevione F

ChEBI IDCHEBI:188644
ChEBI Namebrevione F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O5
Net Charge0
Average Mass436.548
Monoisotopic Mass436.22497
SMILES[H][C@]12[C@@H](O)C=C(C)[C@@]3(Cc4c(c(C)c(C)oc4=O)O3)[C@]1(C)CC[C@@]1([H])C(C)=CC(=O)C=C[C@]21C
InChIInChI=1S/C27H32O5/c1-14-11-18(28)7-9-25(5)20(14)8-10-26(6)23(25)21(29)12-15(2)27(26)13-19-22(32-27)16(3)17(4)31-24(19)30/h7,9,11-12,20-21,23,29H,8,10,13H2,1-6H3/t20-,21-,23+,25-,26+,27-/m0/s1
InChIKeyJTYNVLZPECDEQA-RLHAFYHFSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
brevione F (CHEBI:188644) is a pyranone (CHEBI:37963)
IUPAC Name 
(1'S,2S,4'aR,6'aS,11'aS,11'bR)-1'-hydroxy-3',4'a,6,7,7',11'a-hexamethylspiro[3H-uro[3,2-c]pyran-2,4'-5,6,6a,11b-tetrahydro-1H-cyclohepta[a]naphthalene]-4,9'-dione
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