input word = C00047466

Metabolite InformationStructural formula
Name Jatamanvaltrate C
(-)-Jatamanvaltrate C
Formula C29H44O13
Mw 600.27819149
CAS RN 1134138-68-3
C_ID C00047466 ,
InChIKey JDPPHKXCSVHYOR-RPMDQSPONA-N
InChICode InChI=1S/C29H44O13/c1-15(2)9-22(32)41-24(17(5)6)26(34)37-12-20-13-38-27(42-23(33)10-16(3)4)25-28(20,35)11-21(40-19(8)31)29(25,36)14-39-18(7)30/h13,15-17,21,24-25,27,35-36H,9-12,14H2,1-8H3/t21-,24+,25-,27-,28-,29+/m0/s1
SMILES O1C=C([C@@]2([C@H]([C@@H]1OC(=O)CC(C)C)[C@@]([C@H](C2)OC(=O)C)(O)COC(=O)C)O)COC(=O)[C@H](OC(=O)CC(C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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OrganismValeriana officinalis
ReferenceWang,J.Nat.Prod.,72,(2009),1682