input word = C00048129

Metabolite InformationStructural formula
Name Sophoronol B
(+)-Sophoronol B
Formula C21H20O8
Mw 400.11581762
CAS RN 1173250-95-7
C_ID C00048129 ,
InChIKey XVFVOIOTKHNXRQ-WHMJBFQHNA-N
InChICode InChI=1S/C21H20O8/c1-20(9-22)6-5-12-15(29-20)4-3-13(18(12)27-2)21(26)10-28-16-8-11(23)7-14(24)17(16)19(21)25/h3-8,22-24,26H,9-10H2,1-2H3/t20-,21+/m0/s1
SMILES COc1c([C@]2(O)COc3cc(O)cc(O)c3C2=O)ccc2c1C=CC(C)(CO)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora mollis Ref.
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