input word = C00038868

Metabolite InformationStructural formula
Name Crotonkinin B
Formula C22H28O6
Mw 388.18858863
CAS RN 1006383-56-7
C_ID C00038868 ,
InChIKey TVVDACSGHQEHDA-RFVNINAVNA-N
InChICode InChI=1S/C22H28O6/c1-12(24)28-18-14-5-6-15-20(2)7-4-8-21(3,19(26)27)16(20)9-17(25)22(15,18)10-13(14)11-23/h10-11,14-16,18H,4-9H2,1-3H3,(H,26,27)/t14?,15-,16-,18+,20-,21-,22+/m1/s1
SMILES C1C[C@]([C@H]2[C@](C1)([C@@H]1[C@@]3(C(=O)C2)[C@H]([C@H](CC1)C(=C3)C=O)OC(=O)C)C)(C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton tonkinensis Ref.
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