input word = C00040922

Metabolite InformationStructural formula
Name Clerodendrin E
Formula C30H40O12
Mw 592.25197674
CAS RN 220858-40-2
C_ID C00040922 ,
InChIKey ZUSMZSMVDGGWAL-DEVZUTMTNA-N
InChICode InChI=1S/C30H40O12/c1-15-10-23(39-17(3)32)29(13-37-16(2)31)21(28(15,7)22-11-19-8-9-36-25(19)40-22)12-20(34)24(30(29)14-38-30)41-26(35)27(5,6)42-18(4)33/h8-10,19-25,34H,11-14H2,1-7H3/t19-,20-,21-,22+,23+,24+,25-,28+,29+,30-/m1/s1
SMILES C1=C([C@@]([C@@H]2[C@@]([C@H]1OC(=O)C)([C@@]1([C@H]([C@@H](C2)O)OC(=O)C(C)(C)OC(=O)C)OC1)COC(=O)C)([C@H]1O[C@@H]2[C@@H](C1)C=CO2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaTenthredinidaeAthalia rosae ruficornis Ref.
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