input word = C00055114

Metabolite InformationStructural formula
Name Yucalexin B22
Formula C20H30O3
Mw 318.21949482
CAS RN 119626-55-0
C_ID C00055114
InChIKey ISQMANNAFDGSCG-RVKTVQESSA-N
InChICode InChI=1S/C20H30O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,12-14,16,21,23H,5-6,9-11H2,1-4H3/t12-,13+,14-,16+,18+,19+,20-/m0/s1
SMILES CC1(C)[C@H](O)[C@@H](O)C[C@]2(C)[C@@H]1CC[C@]13C=C[C@](C)(C1)C(=O)C[C@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeManihot esculent Ref.
PlantaeEuphorbiaceaeManihot esculenta Ref.
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