input word = C00040168

Metabolite InformationStructural formula
Name Rohituka-13
(-)-Rohituka-13
Formula C33H42O11
Mw 614.27271219
CAS RN 246854-43-3
C_ID C00040168 ,
InChIKey YBKZHAIDCQWERN-FIMADHAHNA-N
InChICode InChI=1S/C33H42O11/c1-16(2)10-25(36)43-29-28-27(31(6)21-12-24(35)40-15-30(21,5)44-26(37)13-22(31)42-28)17(3)33(38)23(41-18(4)34)11-20(32(29,33)7)19-8-9-39-14-19/h8-9,14,16,20-23,27-29,38H,3,10-13,15H2,1-2,4-7H3/t20-,21-,22-,23+,27+,28+,29-,30+,31+,32+,33+/m0/s1
SMILES C=C1[C@@H]2[C@@H](O[C@H]3CC(=O)O[C@]4(C)COC(=O)C[C@@H]4[C@]32C)[C@H](OC(=O)CC(C)C)[C@@]2(C)[C@H](c3ccoc3)C[C@@H](OC(C)=O)[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAphanamixis polystacha Ref.
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OrganismAphanamixis polystacha
Reference,MulhollandPhytochem.,51,(1999),927