input word = C00049713

Metabolite InformationStructural formula
Name Brassicolide acetate
(+)-Brassicolide acetate
Formula C22H32O4
Mw 360.23005951
CAS RN 249731-34-8
C_ID C00049713 ,
InChIKey JRHSHBMAWLBQTD-VRYXARGONA-N
InChICode InChI=1S/C22H32O4/c1-15-8-6-9-16(2)12-13-19(22(4,5)26-17(3)23)20-14-18(11-7-10-15)21(24)25-20/h9-10,14,19-20H,6-8,11-13H2,1-5H3/b15-10+,16-9+/t19-,20-/m0/s1
SMILES C1C/C=C(/CC/C=C(/CC[C@@H]([C@H]2OC(=O)C1=C2)C(C)(OC(=O)C)C)\C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea brassica Ref.
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