input word = C00051006

Metabolite InformationStructural formula
Name Isothapsakin B
(-)-Isothapsakin B
Formula C35H38N2O9
Mw 630.25773083
CAS RN 250144-64-0
C_ID C00051006
InChIKey HAFLZKVDLUXIRO-PABZOLMPNA-N
InChICode InChI=1S/C35H38N2O9/c1-19(2)31(38)36-25-11-8-16-37(25)32(39)28-26(20-9-6-5-7-10-20)35(21-12-14-22(42-3)15-13-21)33(40)34(28,41)27-23(46-35)17-24-29(30(27)43-4)45-18-44-24/h5-7,9-10,12-15,17,19,25-26,28,33,40-41H,8,11,16,18H2,1-4H3,(H,36,38)/t25-,26-,28+,33+,34-,35-/m0/s1
SMILES COc1ccc([C@@]23Oc4cc5c(c(OC)c4[C@@](O)(C2O)[C@@H](C(=O)N2CCC[C@H]2NC(=O)C(C)C)[C@@H]3c2ccccc2)OCO5)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia edulis Ref.
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