input word = C00040924

Metabolite InformationStructural formula
Name Clerodendrin G
(+)-Clerodendrin G
Formula C29H40O10
Mw 548.2621475
CAS RN 220858-41-3
C_ID C00040924 ,
InChIKey MAODYKWBFYXWTR-QNNIVOGGNA-N
InChICode InChI=1S/C29H40O10/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/h8-10,15,19-24,26,32H,7,11-14H2,1-6H3/t15-,19+,20+,21+,22-,23-,24-,26+,27-,28-,29+/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@@H](C)CC)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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