input word = C00063632

Metabolite InformationStructural formula
Name AHD-valtrate
Formula C24H34O11
Mw 498.21011193
CAS RN 108006-27-5
C_ID C00063632
InChIKey VKFSTQGMOLBKQE-UHFFFAOYSA-N
InChICode InChI=1S/C24H34O11/c1-12(2)7-18(27)35-22-20-23(29,8-17(33-14(5)25)24(20)11-32-24)16(10-31-22)9-30-21(28)19(13(3)4)34-15(6)26/h10,12-13,17,19-20,22,29H,7-9,11H2,1-6H3
SMILES CC(=O)OC(C(=O)OCC1=COC(OC(=O)CC(C)C)C2C1(O)CC(OC(C)=O)C21CO1)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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