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CHEBI:208777 - Botryorhodine H

Default Structure
ChEBI IDCHEBI:208777
ChEBI NameBotryorhodine H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O6
Net Charge0
Average Mass378.380
Monoisotopic Mass378.11034
SMILESCc1cc(O)cc2c1Oc1c(Cc3ccc(O)cc3)c(O)cc(C)c1C(=O)O2
InChIInChI=1S/C22H18O6/c1-11-8-17(25)16(9-13-3-5-14(23)6-4-13)21-19(11)22(26)27-18-10-15(24)7-12(2)20(18)28-21/h3-8,10,23-25H,9H2,1-2H3
InChIKeyLMSBOSNCHRJDJX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (29022767)
ChEBI Ontology
Outgoing Relation(s)
Botryorhodine H (CHEBI:208777) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3,9-dihydroxy-10-[(4-hydroxyphenyl)methyl]-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
71115939ChemSpider