EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217885 - Bipolaride C

ChEBI IDCHEBI:217885
ChEBI NameBipolaride C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O5
Net Charge0
Average Mass328.364
Monoisotopic Mass328.13107
SMILESCOc1cc(C)c2c3c(c(O)c4c2c1C(O)C4=O)C(C)(C)[C@H](C)O3
InChIInChI=1S/C19H20O5/c1-7-6-9(23-5)11-12-10(7)18-14(19(3,4)8(2)24-18)15(20)13(12)17(22)16(11)21/h6,8,16,20-21H,1-5H3/t8-,16?/m0/s1
InChIKeySQCNMHJYBWYYQL-UOCSPZAXSA-N
Species of MetaboliteComponentSourceComments
Lophiostoma (ncbitaxon:45148) - PubMed (26582262)
ChEBI Ontology
Outgoing Relation(s)
Bipolaride C (CHEBI:217885) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(4S)-7,10-dihydroxy-12-methoxy-4,5,5,14-tetramethyl-3-oxatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),7,11,13-pentaen-9-one
Manual XrefsDatabases
44210984ChemSpider