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CHEBI:221244 - Clecarmycin A1

ChEBI IDCHEBI:221244
ChEBI NameClecarmycin A1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H24O11
Net Charge0
Average Mass548.500
Monoisotopic Mass548.13186
SMILESCc1cc2c(O)c3c(cc2c2oc(C4(C)OC4C4CO4)cc(=O)c12)C(=O)C1OC1(C1CC(=O)C(O)C(C)O1)C3=O
InChIInChI=1S/C29H24O11/c1-9-4-11-12(24-19(9)14(30)6-17(38-24)28(3)26(39-28)16-8-36-16)5-13-20(22(11)33)25(35)29(27(40-29)23(13)34)18-7-15(31)21(32)10(2)37-18/h4-6,10,16,18,21,26-27,32-33H,7-8H2,1-3H3
InChIKeyABNJCNGVZLNFJI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7592019)
ChEBI Ontology
Outgoing Relation(s)
Clecarmycin A1 (CHEBI:221244) is a anthraquinone (CHEBI:22580)
IUPAC Name 
2-hydroxy-5-(5-hydroxy-6-methyl-4-oxooxan-2-yl)-18-methyl-14-[2-methyl-3-(oxiran-2-yl)oxiran-2-yl]-6,13-dioxapentacyclo[9.8.0.03,9.05,7.012,17]nonadeca-1,3(9),10,12(17),14,18-hexaene-4,8,16-trione
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8091127ChemSpider