input word = C00047606

Metabolite InformationStructural formula
Name Valeriotetrate A
Formula C37H58O15
Mw 742.37757118
CAS RN 904891-20-9
C_ID C00047606 ,
InChIKey MEOWJLHAENRYDE-HPOJRZKXNA-N
InChICode InChI=1S/C37H58O15/c1-19(2)12-27(39)50-30(22(7)8)33(42)46-16-25-17-47-35(52-29(41)14-21(5)6)32-36(25,44)15-26(49-24(11)38)37(32,45)18-48-34(43)31(23(9)10)51-28(40)13-20(3)4/h17,19-23,26,30-32,35,44-45H,12-16,18H2,1-11H3/t26-,30-,31-,32-,35-,36-,37-/m0/s1
SMILES C1=C([C@@]2([C@H]([C@@H](O1)OC(=O)CC(C)C)[C@@]([C@H](C2)OC(=O)C)(COC(=O)[C@@H](OC(=O)CC(C)C)C(C)C)O)O)COC(=O)[C@H](C(C)C)OC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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