input word = C00019814

Metabolite InformationStructural formula
Name 14-Acetoxybadrakemin
Badrakemin
Formula C26H32O6
Mw 440.21988875
CAS RN
C_ID C00019814 ,
InChIKey SRHUJPJGKASGRN-VAYSFJIXNA-N
InChICode InChI=1S/C26H32O6/c1-16-5-9-22-25(3,12-11-23(28)26(22,4)15-31-17(2)27)20(16)14-30-19-8-6-18-7-10-24(29)32-21(18)13-19/h6-8,10,13,20,22-23,28H,1,5,9,11-12,14-15H2,2-4H3/t20-,22+,23+,25+,26+/m1/s1
SMILES C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@@H](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.
PlantaeApiaceaeHeptaptera anisoptera Ref.
--Colladonium triquestra Ref.
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OrganismHeptaptera anisoptera
ReferenceAppendino,Phytochem.,31,(1992),3211