EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227947 - Hexaricin B

ChEBI IDCHEBI:227947
ChEBI NameHexaricin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H22O10
Net Charge0
Average Mass530.485
Monoisotopic Mass530.12130
SMILESCOc1c2c(c(O)c3c1[C@H](OC(C)=O)Cc1cc4c(c(O)c1-3)C(=O)O[C@H](C)C4)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C29H22O10/c1-10-7-12-8-13-9-16(39-11(2)30)20-21(17(13)25(33)18(12)29(36)38-10)27(35)22-23(28(20)37-3)26(34)19-14(24(22)32)5-4-6-15(19)31/h4-6,8,10,16,31,33,35H,7,9H2,1-3H3/t10-,16-/m1/s1
InChIKeyKPZZVJIBEBNPBQ-QLJPJBMISA-N
Species of MetaboliteComponentSourceComments
Streptosporangium (ncbitaxon:2000) - PubMed (26754814)
ChEBI Ontology
Outgoing Relation(s)
Hexaricin B (CHEBI:227947) is a quinone (CHEBI:36141)
Hexaricin B (CHEBI:227947) is a tetracenes (CHEBI:51270)
IUPAC Name 
[(7R,13R)-3,19,26-trihydroxy-15-methoxy-7-methyl-5,17,24-trioxo-6-oxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,9,15,18(23),19,21,25-nonaen-13-yl] acetate
Manual XrefsDatabases
60596943ChemSpider