input word = C00040921

Metabolite InformationStructural formula
Name Clerodendrin D
Formula C29H42O10
Mw 550.27779756
CAS RN 122622-16-6
C_ID C00040921 ,
InChIKey LHFSTOLZQVESJD-MZZJXAFXNA-N
InChICode InChI=1S/C29H42O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h8-9,15-16,19-24,26,32H,7,10-14H2,1-6H3/t15-,16+,19+,20-,21+,22-,23-,24-,26+,27-,28-,29+/m0/s1
SMILES CCC(C)C(=O)O[C@H]1[C@@H](O)C[C@@H]2[C@@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaTenthredinidaeAthalia rosae ruficornis Ref.
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