input word = C00006529

Metabolite InformationStructural formula
Name 3',3'''-Binaringenin
Formula C30H22O10
Mw 542.12129692
CAS RN 145399-99-1
C_ID C00006529 ,
InChIKey DAYMIXJCSHDNJF-UHFFFAOYNA-N
InChICode InChI=1S/C30H22O10/c31-15-7-21(35)29-23(37)11-25(39-27(29)9-15)13-1-3-19(33)17(5-13)18-6-14(2-4-20(18)34)26-12-24(38)30-22(36)8-16(32)10-28(30)40-26/h1-10,25-26,31-36H,11-12H2/t25-,26+
SMILES c1c(c(ccc1[C@@H]1Oc2c(C(=O)C1)c(cc(c2)O)O)O)c1c(ccc(c1)[C@H]1Oc2c(C(=O)C1)c(cc(c2)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Homalothecium lutescens Ref.
--Pilotrichella cuspidata Ref.
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