input word = C00006565

Metabolite InformationStructural formula
Name Heterobryoflavone
Formula C30H18O12
Mw 570.07982604
CAS RN 111200-23-8
C_ID C00006565 ,
InChIKey XXYZWVBUFOJKQS-UHFFFAOYSA-N
InChICode InChI=1S/C30H18O12/c31-13-6-18(34)27-24(7-13)41-10-15(29(27)40)12-3-14(28(39)22(38)5-12)25-19(35)8-20(36)26-21(37)9-23(42-30(25)26)11-1-2-16(32)17(33)4-11/h1-10,31-36,38-39H
SMILES c1(cc(c2c(c1)occ(c2=O)c1cc(c(c(c1)O)O)c1c(cc(c2c1oc(cc2=O)c1ccc(c(c1)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Bryum capillare Ref.
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