input word = C00054739

Metabolite InformationStructural formula
Name 3-O-Acetylepisamarcandin
Formula C26H34O6
Mw 442.23553882
CAS RN 61490-18-4
C_ID C00054739
InChIKey RIPKCRCUFJSKKD-QQCYLNIMSA-N
InChICode InChI=1S/C26H34O6/c1-16(27)31-22-11-12-25(4)20(24(22,2)3)10-13-26(5,29)21(25)15-30-18-8-6-17-7-9-23(28)32-19(17)14-18/h6-9,14,20-22,29H,10-13,15H2,1-5H3/t20-,21+,22-,25-,26-/m0/s1
SMILES C[C@]12CC[C@H](OC(C)=O)C(C)(C)[C@]1([H])CC[C@](C)(O)[C@@H]2COC3=CC=C(C=CC(O4)=O)C4=C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula assa-foetida Ref.
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