input word = C00037006

Metabolite InformationStructural formula
Name Davidiol C
Formula C56H40O12
Mw 904.25197674
CAS RN 174158-76-0
C_ID C00037006 ,
InChIKey RKUIZKULTFDMTQ-UHFFFAOYNA-N
InChICode InChI=1S/C56H40O12/c57-30-9-1-25(2-10-30)52-44(29-17-34(61)19-35(62)18-29)51-43(67-52)24-40-48-45-38(20-36(63)22-41(45)66-54(48)27-5-13-32(59)14-6-27)47-46-39(49-50(40)56(51)68-55(49)28-7-15-33(60)16-8-28)21-37(64)23-42(46)65-53(47)26-3-11-31(58)12-4-26/h1-24,44,47-49,52-55,57-64H/t44-,47+,48+,49-,52+,53-,54+,55-/m0/s1
SMILES Oc1ccc(C2Oc3cc4c5c(c3C2c2cc(O)cc(O)c2)OC(c2ccc(O)cc2)C5c2cc(O)cc3c2C(c2cc(O)cc5c2C4C(c2ccc(O)cc2)O5)C(c2ccc(O)cc2)O3)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora davidii Ref.
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