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22804-49-5 molecular structure
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1-hydroxy-2,3,5-trimethoxy-9H-xanthen-9-one

ChemBase ID: 306339
Molecular Formular: C16H14O6
Molecular Mass: 302.27876
Monoisotopic Mass: 302.07903817
SMILES and InChIs

SMILES:
c1cc(c2c(c1)c(=O)c1c(o2)cc(c(c1O)OC)OC)OC
Canonical SMILES:
COc1cc2oc3c(OC)cccc3c(=O)c2c(c1OC)O
InChI:
InChI=1S/C16H14O6/c1-19-9-6-4-5-8-13(17)12-10(22-15(8)9)7-11(20-2)16(21-3)14(12)18/h4-7,18H,1-3H3
InChIKey:
FFVKXGZKJBHJMS-UHFFFAOYSA-N

Cite this record

CBID:306339 http://www.chembase.cn/molecule-306339.html

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