input word = C00047464

Metabolite InformationStructural formula
Name Jatamanvaltrate A
(-)-Jatamanvaltrate A
Formula C34H52O15
Mw 700.33062099
CAS RN 1134138-64-9
C_ID C00047464 ,
InChIKey RSFLKWAAFPCZOO-HINDNXGWNA-N
InChICode InChI=1S/C34H52O15/c1-18(2)11-25(37)47-28(20(5)6)30(40)43-15-23-16-44-31(48-26(38)12-19(3)4)29-33(23,41)13-24(46-21(7)35)34(29,42)17-45-27(39)14-32(9,10)49-22(8)36/h16,18-20,24,28-29,31,41-42H,11-15,17H2,1-10H3/t24-,28+,29-,31-,33-,34+/m0/s1
SMILES CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)(C)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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