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CHEBI:208415 - Laetirobin

ChEBI IDCHEBI:208415
ChEBI NameLaetirobin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H32O12
Net Charge0
Average Mass752.728
Monoisotopic Mass752.18938
SMILESCC(=O)c1cc2c(cc1O)OC1=C(c3cc4cc(C(C)=O)c(O)cc4o3)CCC(c3cc4cc(C(C)=O)c(O)cc4o3)(c3cc4cc(C(C)=O)c(O)cc4o3)[C@H]12
InChIInChI=1S/C44H32O12/c1-18(45)26-7-22-10-38(53-35(22)14-31(26)49)25-5-6-44(40-11-23-8-27(19(2)46)32(50)15-36(23)54-40,41-12-24-9-28(20(3)47)33(51)16-37(24)55-41)42-30-13-29(21(4)48)34(52)17-39(30)56-43(25)42/h7-17,42,49-52H,5-6H2,1-4H3/t42-/m0/s1
InChIKeySGSHORQVHJQLLG-WBCKFURZSA-N
Species of MetaboliteComponentSourceComments
Laetiporus sulphureus (ncbitaxon:5630) - PubMed (19842686)
ChEBI Ontology
Outgoing Relation(s)
Laetirobin (CHEBI:208415) is a benzofurans (CHEBI:35259)
IUPAC Name 
1-[2-[8-acetyl-1,1-bis(5-acetyl-6-hydroxy-1-benzouran-2-yl)-7-hydroxy-3,9b-dihydro-2H-dibenzouran-4-yl]-6-hydroxy-1-benzouran-5-yl]ethanone
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