input word = C00030369

Metabolite InformationStructural formula
Name Gelseiridone
Formula C29H34N2O8
Mw 538.23151608
CAS RN 905566-77-0
C_ID C00030369 ,
InChIKey ACHNPLVAYHURPC-UDTQNGNQNA-N
InChICode InChI=1S/C29H34N2O8/c1-4-22(33)16-10-24-28(19-7-5-6-8-21(19)31(37-3)27(28)35)11-20(18(16)13-38-24)30-12-17-25-23(39-26(17)34)9-15(2)29(25,36)14-32/h5-8,10,12,15,18,20,23-25,30,32,36H,4,9,11,13-14H2,1-3H3/b17-12-/t15-,18-,20-,23-,24+,25-,28-,29-/m0/s1
SMILES c1ccc2c(c1)[C@@]1(C(=O)N2OC)C[C@@H]([C@@H]2C(=C[C@H]1OC2)C(=O)CC)N/C=C\1/[C@H]2[C@@H](OC1=O)C[C@@H]([C@@]2(O)CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium elegans Ref.
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