input word = C00040616

Metabolite InformationStructural formula
Name Valeriotetrate C
(-)-Valeriotetrate C
Formula C37H58O15
Mw 742.37757118
CAS RN 1026748-03-7
C_ID C00040616 ,
InChIKey BODYCSNXCSTEMV-JUCMNCMLNA-N
InChICode InChI=1S/C37H58O15/c1-19(2)12-27(39)50-26-15-36(44)25(16-46-33(42)30(22(7)8)51-28(40)13-20(3)4)17-47-35(49-24(11)38)32(36)37(26,45)18-48-34(43)31(23(9)10)52-29(41)14-21(5)6/h17,19-23,26,30-32,35,44-45H,12-16,18H2,1-11H3/t26-,30+,31+,32+,35+,36+,37-/m1/s1
SMILES C1=C([C@@]2([C@H]([C@@H](O1)OC(=O)C)[C@]([C@@H](C2)OC(=O)CC(C)C)(COC(=O)[C@@H](OC(=O)CC(C)C)C(C)C)O)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 wallichii Ref.
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