input word = C00040923

Metabolite InformationStructural formula
Name Clerodendrin F
Formula C33H44O14
Mw 664.27310612
CAS RN 220858-38-8
C_ID C00040923 ,
InChIKey KKJMIDSUDJXHOU-UHAYPDHWNA-N
InChICode InChI=1S/C33H44O14/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/h9-11,17,22-28,38H,12-15H2,1-8H3/t17-,22+,23+,24+,25-,26-,27-,28+,30-,31-,32-,33+/m0/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@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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