input word = C00049324

Metabolite InformationStructural formula
Name Velamolone acetate
Formula C22H30O4
Mw 358.21440945
CAS RN 210299-83-5
C_ID C00049324 ,
InChIKey XMTAIXFAMJUEAK-JELDZABXNA-N
InChICode InChI=1S/C22H30O4/c1-15-5-8-21(4)16(2)11-19(24)12-20(21)22(15,14-26-17(3)23)9-6-18-7-10-25-13-18/h7,10-11,13,15,20H,5-6,8-9,12,14H2,1-4H3/t15-,20+,21+,22-/m1/s1
SMILES C1(=O)C=C([C@]2([C@H](C1)[C@]([C@@H](CC2)C)(CCc1ccoc1)COC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton campestris Ref.
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