input word = C00064057

Metabolite InformationStructural formula
Name Valerjatadoid B
Formula C32H48O12
Mw 624.314577
CAS RN 1810033-95-4
C_ID C00064057
InChIKey CZYJABDLKXVRER-VGLATKHKSA-N
InChICode InChI=1S/C32H48O12/c1-17(2)10-25(34)39-14-22-15-40-31(44-27(36)12-19(5)6)28-23(22)13-24(42-21(9)33)32(28,38)16-41-30(37)29(20(7)8)43-26(35)11-18(3)4/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)OC1C=C2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)C2C1(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 jatamansi Ref.
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