input word = C00064280

Metabolite InformationStructural formula
Name 3,4-Dihydroverbenalin
Formula C17H26O10
Mw 390.15259705
CAS RN 332046-67-0
C_ID C00064280
InChIKey KQGSDMCIGIRIDU-NJLIFTPESA-N
InChICode InChI=1S/C17H26O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h6-7,9-14,16-18,20-22H,3-5H2,1-2H3/t6-,7?,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1
SMILES COC(=O)C1COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeVerbena officinalis Ref.
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