input word = C00019823

Metabolite InformationStructural formula
Name Claudimerin A
Formula C48H54O8
Mw 758.3818687
CAS RN 155233-22-0
C_ID C00019823 ,
InChIKey WJAGAVCAFLENPA-UHFFFAOYNA-N
InChICode InChI=1S/C48H54O8/c1-17-43(5,6)25-21-23-33-29-27-28-30-34(52-40(27)48(15,16)55-37(29)31(45(9,10)19-3)35(23)53-41(25)49)24-22-26(44(7,8)18-2)42(50)54-36(24)32(46(11,12)20-4)38(30)56-47(13,14)39(28)51-33/h17-22,27-28,39-40H,1-4H2,5-16H3/t27-,28-,39+,40+/m0/s1
SMILES c1(c(=O)oc2c(c1)c1c3c(c2C(C)(C)C=C)OC([C@H]2[C@H]3[C@@H]3[C@@H](O1)C(Oc1c3c(O2)c2c(c1C(C)(C)C=C)oc(=O)c(c2)C(C)(C)C=C)(C)C)(C)C)C(C)(C)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hassaku Ref.
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