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@@]12([C@H](CC(=O)O[C@]3([C@@H]1CC(=O)OC3)C)O[C@@H]1[C@H]2C(=C)[C@@]2([C@@]([C@H]1OC(=O)CC(C)C)([C@@H](C[C@H]2OC(=O)C)c1cocc1)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAphanamixis polystacha Ref.
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