input word = C00002955

Metabolite InformationStructural formula
Name Irisxanthone
Formula C20H20O11
Mw 436.10056148
CAS RN 51419-56-8
C_ID C00002955 ,
InChIKey MTQVPZUZBBTLNO-VERJARLLNA-N
InChICode InChI=1S/C20H20O11/c1-29-19-7(22)3-2-6-13(24)12-9(30-18(6)19)4-8(23)11(15(12)26)20-17(28)16(27)14(25)10(5-21)31-20/h2-4,10,14,16-17,20-23,25-28H,5H2,1H3/t10-,14+,16-,17+,20-/m0/s1
SMILES COc1c(O)ccc2c(=O)c3c(O)c([C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)cc3oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris florentina Ref.
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