input word = C00064247

Metabolite InformationStructural formula
Name 1-beta-Acevaltratum
Formula C24H32O10
Mw 480.19954724
CAS RN 27765-23-7
C_ID C00064247
InChIKey WQKBMPNNRRZQLG-QBTGUUFSSA-N
InChICode InChI=1S/C24H32O10/c1-13(2)7-19(27)32-18-8-17-16(10-29-14(3)25)11-30-22(21(17)24(18)12-31-24)33-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m1/s1
SMILES CC(=O)OCC1=COC(OC(=O)CC(C)(C)OC(C)=O)C2C1=CC(OC(=O)CC(C)C)C21CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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