input word = C00047472

Metabolite InformationStructural formula
Name Jatamanvaltrate I
(-)-Jatamanvaltrate I
Formula C29H36O11
Mw 560.22576199
CAS RN 1134138-78-5
C_ID C00047472 ,
InChIKey IUCHWPNAQOIPNG-VROHWVNXNA-N
InChICode InChI=1S/C29H36O11/c1-16(2)10-24(32)36-13-19-14-37-28(40-25(33)11-17(3)4)26-21(19)12-23(39-18(5)30)29(26,35)15-38-27(34)20-8-6-7-9-22(20)31/h6-9,12,14,16-17,23,26,28,31,35H,10-11,13,15H2,1-5H3/t23-,26+,28-,29+/m0/s1
SMILES CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)c1ccccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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