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CHEBI:200671 - WS 79089B

ChEBI IDCHEBI:200671
ChEBI NameWS 79089B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H22O10
Net Charge0
Average Mass506.463
Monoisotopic Mass506.12130
SMILESCOc1c2c(c(O)c3c1C(O)Cc1cc(CC(C)O)c(C(=O)O)c(O)c1-3)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C27H22O10/c1-9(28)6-10-7-11-8-14(30)18-19(15(11)23(32)16(10)27(35)36)25(34)20-21(26(18)37-2)24(33)17-12(22(20)31)4-3-5-13(17)29/h3-5,7,9,14,28-30,32,34H,6,8H2,1-2H3,(H,35,36)
InChIKeyXBWMJMIOZSMYBR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptosporangium (ncbitaxon:2000) - PubMed (8040066)
ChEBI Ontology
Outgoing Relation(s)
WS 79089B (CHEBI:200671) is a quinone (CHEBI:36141)
WS 79089B (CHEBI:200671) is a tetracenes (CHEBI:51270)
IUPAC Name 
1,6,9,14-tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
Manual XrefsDatabases
HMDB0259909HMDB
117396ChemSpider