input word = C00047607

Metabolite InformationStructural formula
Name Valeriotriate B
Formula C27H42O12
Mw 558.26762681
CAS RN 862255-64-9
C_ID C00047607 ,
InChIKey LUDMVJVLHCEECS-FXFBVYGSNA-N
InChICode InChI=1S/C27H42O12/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(29)27(23,34)13-37-17(7)28/h12,14-16,19,22-23,25,29,33-34H,8-11,13H2,1-7H3/t19-,22-,23-,25-,26-,27-/m0/s1
SMILES CC(=O)OC[C@@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(COC(=O)C(OC(=O)CC(C)C)C(C)C)[C@@]2(O)C[C@@H]1O
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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