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CHEBI:203423 - Griseorhodin D1/D2

ChEBI IDCHEBI:203423
ChEBI NameGriseorhodin D1/D2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H38O16
Net Charge0
Average Mass918.860
Monoisotopic Mass918.21599
SMILESCC(=O)Cc1cc2c(c(O)c1C(=O)O)-c1cc3c(c(O)c1CC2)C(=O)c1c(O)cc(O)cc1[C@H]3[C@H]1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)CCc2cc(CC(C)=O)c(C(=O)O)c(O)c2-1
InChIInChI=1S/C52H38O16/c1-17(53)7-21-9-19-3-5-25-27(35(19)47(61)37(21)51(65)66)15-31-39(29-11-23(55)13-33(57)41(29)49(63)43(31)45(25)59)40-30-12-24(56)14-34(58)42(30)50(64)44-32(40)16-28-26(46(44)60)6-4-20-10-22(8-18(2)54)38(52(67)68)48(62)36(20)28/h9-16,39-40,55-62H,3-8H2,1-2H3,(H,65,66)(H,67,68)/t39-,40+
InChIKeyHTSWORYRFFMQSU-LQDDJWCHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CN48 (ncbitaxon:1049553) - PubMed (24786728)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Griseorhodin D1/D2 (CHEBI:203423) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(13R)-13-[(13S)-2-carboxy-1,7,9,11-tetrahydroxy-8-oxo-3-(2-oxopropyl)-6,13-dihydro-5H-benzo[a]tetracen-13-yl]-1,7,9,11-tetrahydroxy-8-oxo-3-(2-oxopropyl)-6,13-dihydro-5H-benzo[a]tetracene-2-carboxylic acid
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