input word = C00006586

Metabolite InformationStructural formula
Name Bartramiaflavone
Formula C30H18O13
Mw 586.07474066
CAS RN
C_ID C00006586 ,
InChIKey XQTQGEORWSFOOC-UHFFFAOYNA-N
InChICode InChI=1S/C30H18O13/c31-11-3-1-9-19-7-17(37)22-13(33)5-16(36)25(28(22)42-19)21-10(2-4-12(32)27(21)40)30(41)8-18(38)23-14(34)6-15(35)24(29(23)43-30)20(9)26(11)39/h1-7,31-36,39-41H,8H2/t30-/m0/s1
SMILES C1[C@@]2(Oc3c(C1=O)c(cc(c3c1c(c3cc(=O)c4c(o3)c(c3c2ccc(c3O)O)c(cc4O)O)ccc(c1O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeBartramia pomiformis Ref.
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