input word = C00047475

Metabolite InformationStructural formula
Name Jatamanvaltrate L
(+)-Jatamanvaltrate L
Formula C25H38O10
Mw 498.24649744
CAS RN 1134138-86-5
C_ID C00047475 ,
InChIKey ZLGMGWPIAQVIEN-QMJBZWNLNA-N
InChICode InChI=1S/C25H38O10/c1-13(2)7-18(27)34-20(15(5)6)22(29)31-10-16-11-32-23(35-19(28)8-14(3)4)21-24(16,30)9-17(26)25(21)12-33-25/h11,13-15,17,20-21,23,26,30H,7-10,12H2,1-6H3/t17-,20+,21-,23-,24-,25+/m0/s1
SMILES O1C=C([C@@]2([C@H]([C@@H]1OC(=O)CC(C)C)[C@@]1([C@H](C2)O)OC1)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.
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