input word = C00036773

Metabolite InformationStructural formula
Name Assafoetidnol B
(+)-Assafoetidnol B
Formula C26H32O7
Mw 456.21480338
CAS RN 403642-11-5
C_ID C00036773 ,
InChIKey CKPWNMFJQJVNER-OAPOVIJKNA-N
InChICode InChI=1S/C26H32O7/c1-14-18(13-31-17-8-6-16-7-9-21(28)33-19(16)12-17)26(5)11-10-20(32-15(2)27)25(3,4)24(26)23(30)22(14)29/h6-9,12,18,20,22-24,29-30H,1,10-11,13H2,2-5H3/t18-,20-,22-,23+,24+,26+/m0/s1
SMILES C=C1[C@H](O)[C@@H](O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula assa-foetida Ref.
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