input word = C00058538

Metabolite InformationStructural formula
Name Javanicin U
Formula C23H32O8
Mw 436.209718
CAS RN 138843-00-2
C_ID C00058538
InChIKey ABTIPEBPCWBGPQ-IAGNTRGHSA-N
InChICode InChI=1S/C23H32O8/c1-10-7-13(29-6)19(27)21(3)12(10)8-15-22(4)14(9-16(25)31-15)23(5,28)20(30-11(2)24)17(26)18(21)22/h7,10,12,14-15,17-18,20,26,28H,8-9H2,1-6H3/t10-,12+,14-,15-,17+,18-,20-,21+,22-,23+/m1/s1
SMILES COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@H](OC(C)=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma javanica Ref.
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