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CHEBI:200826 - Collinone

ChEBI IDCHEBI:200826
ChEBI NameCollinone
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SubmitterMetaboLights
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FormulaC27H18O12
Net Charge0
Average Mass534.429
Monoisotopic Mass534.07983
SMILESCOc1cc(=O)c2c(=O)c3c(c(=O)c=2c1=O)=C(O)[C@@]1(O)c2c(cc4cc(C)oc(=O)c4c2O)CC[C@@]1(O)C=3O
InChIInChI=1S/C27H18O12/c1-8-5-10-6-9-3-4-26(36)23(33)16-17(24(34)27(26,37)18(9)22(32)13(10)25(35)39-8)21(31)15-14(20(16)30)11(28)7-12(38-2)19(15)29/h5-7,32-34,36-37H,3-4H2,1-2H3/t26-,27+/m1/s1
InChIKeyRIDFNHJMBSRPNA-SXOMAYOGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11372781)
ChEBI Ontology
Outgoing Relation(s)
Collinone (CHEBI:200826) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(1S,14R)-1,3,14,15,26-pentahydroxy-21-methoxy-7-methyl-6-oxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-2(11),3,7,9,15,18(23),20,25-octaene-5,17,19,22,24-pentone
Manual XrefsDatabases
78436681ChemSpider