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CHEBI:220234 - Mollicellin I

Default Structure
ChEBI IDCHEBI:220234
ChEBI NameMollicellin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESCC(C)=CCc1c(O)cc2c(c1C)OC(=O)c1c(C)cc(O)c(CO)c1O2
InChIInChI=1S/C21H22O6/c1-10(2)5-6-13-12(4)19-17(8-16(13)24)26-20-14(9-22)15(23)7-11(3)18(20)21(25)27-19/h5,7-8,22-24H,6,9H2,1-4H3
InChIKeyNTWOSLVOKRNGLX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ovatospora brasiliensis (ncbitaxon:1934393) - DOI (10.1002/hlca.200890002)
ChEBI Ontology
Outgoing Relation(s)
Mollicellin I (CHEBI:220234) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2,9-dihydroxy-10-(hydroxymethyl)-4,7-dimethyl-3-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
32699110ChemSpider