input word = C00050965

Metabolite InformationStructural formula
Name Isoneotriptophenolide
Formula C21H26O4
Mw 342.18310932
CAS RN 104331-86-4
C_ID C00050965
InChIKey TYSYVCOVDLVELY-BSTMIJKCNA-N
InChICode InChI=1S/C21H26O4/c1-11(2)18-17(22)9-16-13(19(18)24-4)5-6-15-14-10-25-20(23)12(14)7-8-21(15,16)3/h9,11,15,22H,5-8,10H2,1-4H3/t15-,21-/m0/s1
SMILES COc1c2c(cc(O)c1C(C)C)[C@@]1(C)CCC3=C(COC3=O)[C@@H]1CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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OrganismTripterygium wilfordii
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993)