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CHEBI:224367 - Brevione H

ChEBI IDCHEBI:224367
ChEBI NameBrevione H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O7
Net Charge0
Average Mass466.530
Monoisotopic Mass466.19915
SMILESCC1=CC(=O)C[C@@H]2O[C@@H]3C=C(C)[C@@]45Oc6c(C)c(C)oc(=O)c6[C@@H]4O[C@H](O)[C@]54CC[C@@H]1[C@@]2(C)[C@@H]34
InChIInChI=1S/C27H30O7/c1-11-8-15(28)10-18-25(5)16(11)6-7-26-21(25)17(32-18)9-12(2)27(26)22(33-24(26)30)19-20(34-27)13(3)14(4)31-23(19)29/h8-9,16-18,21-22,24,30H,6-7,10H2,1-5H3/t16-,17+,18-,21+,22-,24-,25+,26+,27+/m0/s1
InChIKeyJPXZJDMFVHWBKF-JPHWDXFPSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (19326880)
ChEBI Ontology
Outgoing Relation(s)
Brevione H (CHEBI:224367) is a pyranone (CHEBI:37963)
IUPAC Name 
(1R,4S,12S,14S,15S,18S,23S,24S,25R)-14-hydroxy-3,7,8,19,24-pentamethyl-5,9,13,26-tetraoxaheptacyclo[21.2.1.04,12.04,15.06,11.015,25.018,24]hexacosa-2,6(11),7,19-tetraene-10,21-dione
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24629094ChemSpider