input word = C00002805

Metabolite InformationStructural formula
Name Chryso-obtusin glucoside
Formula C25H28O12
Mw 520.15807636
CAS RN 96820-54-1
C_ID C00002805 ,
InChIKey QBFJCZWBSLFTEE-HURUZKPTNA-N
InChICode InChI=1S/C25H28O12/c1-9-6-10-14(18(29)15-11(16(10)27)7-12(32-2)22(33-3)24(15)35-5)23(34-4)21(9)37-25-20(31)19(30)17(28)13(8-26)36-25/h6-7,13,17,19-20,25-26,28,30-31H,8H2,1-5H3/t13-,17-,19-,20-,25+/m1/s1
SMILES c1(c(cc2c(c1OC)C(=O)c1c(C2=O)cc(c(c1OC)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)C)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia obtusifolia Ref.
PlantaeFabaceaeCassia tora Ref.
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