input word = C00040615

Metabolite InformationStructural formula
Name Valeriotetrate B
(+)-Valeriotetrate B
Formula C35H50O14
Mw 694.32005631
CAS RN 1026748-04-8
C_ID C00040615 ,
InChIKey CIZJPULCDUBAOL-YTBSTRDGNA-N
InChICode InChI=1S/C34H50O14/c1-18(2)11-26(37)46-30(20(5)6)31(40)44-17-34(41)25(45-28(39)14-33(9,10)48-22(8)36)13-24-23(15-42-21(7)35)16-43-32(29(24)34)47-27(38)12-19(3)4/h13,16,18-20,25,29-30,32,41H,11-12,14-15,17H2,1-10H3/t25-,29+,30+,32-,34+/m0/s1
SMILES CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]2(O)COC(=O)C(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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