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CHEBI:216359 - (1'S)-sporulosol

ChEBI IDCHEBI:216359
ChEBI Name(1'S)-sporulosol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H22O8
Net Charge0
Average Mass462.454
Monoisotopic Mass462.13147
SMILESCOc1cc(O)c2c(=O)oc3c(O[C@]4(C)Oc5cccc(C)c5C4=O)c(OC)cc(C)c3c2c1
InChIInChI=1S/C26H22O8/c1-12-7-6-8-17-20(12)24(28)26(3,33-17)34-22-18(31-5)9-13(2)19-15-10-14(30-4)11-16(27)21(15)25(29)32-23(19)22/h6-11,27H,1-5H3/t26-/m0/s1
InChIKeyPWNYACBJAUETEX-SANMLTNESA-N
Species of MetaboliteComponentSourceComments
Paraphaeosphaeriaspeciesrulosa (ncbitaxon:1460663) - PubMed (29799466)
ChEBI Ontology
Outgoing Relation(s)
(1'S)-sporulosol (CHEBI:216359) is a coumarins (CHEBI:23403)
IUPAC Name 
4-[[(2S)-2,4-dimethyl-3-oxo-1-benzouran-2-yl]oxy]-7-hydroxy-3,9-dimethoxy-1-methylbenzo[c]chromen-6-one