input word = C00063951

Metabolite InformationStructural formula
Name Jatamanvaltrate Q
Formula C32H48O12
Mw 624.314577
CAS RN 1610359-76-6
C_ID C00063951
InChIKey SKAJGRWFAGKMES-VGLATKHKSA-N
InChICode InChI=1S/C32H48O12/c1-17(2)10-25(34)42-24-13-23-22(14-39-30(37)29(20(7)8)43-26(35)11-18(3)4)15-40-31(44-27(36)12-19(5)6)28(23)32(24,38)16-41-21(9)33/h13,15,17-20,24,28-29,31,38H,10-12,14,16H2,1-9H3/t24-,28+,29?,31-,32+/m0/s1
SMILES CC(=O)OCC1(O)C(OC(=O)CC(C)C)C=C2C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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