CHEBI:4704 - Dothistromin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Dothistromin
ChEBI ID CHEBI:4704
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H12O9
Net Charge 0
Average Mass 372.283
Monoisotopic Mass 372.04813
InChI InChI=1S/C18H12O9/c19-6-1-2-7(20)12-11(6)14(22)5-3-8-13(16(24)10(5)15(12)23)18(25)4-9(21)27-17(18)26-8/h1-3,9,17,19-21,24-25H,4H2/t9-,17+,18-/m1/s1
InChIKey FBPGRTYADYGYRG-AHBCHLHISA-N
SMILES O[C@H]1C[C@]2(O)[C@H](O1)Oc1cc3C(=O)c4c(O)ccc(O)c4C(=O)c3c(O)c21
ChEBI Ontology
Outgoing Dothistromin (CHEBI:4704) is a anthraquinone (CHEBI:22580)
Synonym Source
Dothistromin KEGG COMPOUND
Manual Xrefs Databases
C00002817 KNApSAcK
C10334 KEGG COMPOUND
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Registry Number Type Source
31456-72-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014