input word = C00019799

Metabolite InformationStructural formula
Name Bishassanidin
Formula C48H54O10
Mw 790.37169795
CAS RN 158402-62-1
C_ID C00019799 ,
InChIKey WJQSVSVZEZBANG-UHFFFAOYNA-N
InChICode InChI=1S/C48H54O10/c1-17-43(5,6)25-21-23-33(49)27-35(51)29(47(13,14)57-39(27)31(45(9,10)19-3)37(23)55-41(25)53)30-36(52)28-34(50)24-22-26(44(7,8)18-2)42(54)56-38(24)32(46(11,12)20-4)40(28)58-48(30,15)16/h17-22,29-30,49-50H,1-4H2,5-16H3/t29-,30-/m0/s1
SMILES c1(c(=O)oc2c(c1)c(c1c(c2C(C)(C)C=C)OC([C@H](C1=O)[C@@H]1C(Oc2c(C1=O)c(c1c(c2C(C)(C)C=C)oc(=O)c(c1)C(C)(C)C=C)O)(C)C)(C)C)O)C(C)(C)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hassaku Ref.
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