input word = C00014864

Metabolite InformationStructural formula
Name Rosacyanin B
11-(3,4-Dihydroxyphenyl)-4,5,8-trihydroxy-2-oxo-2H-1,6-dioxa-10-oxoniabenzo[cd]pyrene
Formula C22H11O9
Mw 419.04030695
CAS RN 350484-25-2
C_ID C00014864 ,
InChIKey DKOQTUOFLKDZKY-UHFFFAOYSA-O
InChICode InChI=1S/C22H10O9/c23-8-4-13-16-14(5-8)30-20-15-9(6-12(26)18(20)27)22(28)31-21(17(15)16)19(29-13)7-1-2-10(24)11(25)3-7/h1-6H,(H4-,23,24,25,26,27,28)/p+1
SMILES O=c1oc2c(-c3ccc(O)c(O)c3)[o+]c3cc(O)cc4c3c2c2c(c(O)c(O)cc12)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa hybrida Ref.
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