input word = C00040925

Metabolite InformationStructural formula
Name Clerodendrin H
Formula C33H46O14
Mw 666.28875618
CAS RN 220858-39-9
C_ID C00040925 ,
InChIKey DENBIHXBJSFZFT-ZBMVDJILNA-N
InChICode InChI=1S/C33H46O14/c1-16-11-26(44-20(5)36)32(14-41-18(3)34)24(30(16,7)25-12-22-9-10-40-28(22)45-25)13-23(38)27(33(32)15-42-33)46-29(39)31(8,47-21(6)37)17(2)43-19(4)35/h9-10,16-17,22-28,38H,11-15H2,1-8H3/t16-,17-,22-,23-,24-,25+,26+,27+,28-,30+,31-,32+,33-/m1/s1
SMILES C1[C@H]([C@@]([C@@H]2[C@@]([C@H]1OC(=O)C)([C@@]1([C@H]([C@@H](C2)O)OC(=O)[C@@](C)([C@@H](C)OC(=O)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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OrganismAthalia rosae ruficornis
ReferenceKawai,Phytochem.,49,(1998),1975