input word = C00062565

Metabolite InformationStructural formula
Name Di-O-methylcrenatin
Formula C15H22O9
Mw 346.1263823
CAS RN 64121-98-8
C_ID C00062565
InChIKey RWIINOLFQCPJMH-VVSAWPALSA-N
InChICode InChI=1S/C15H22O9/c1-21-8-3-7(5-16)4-9(22-2)14(8)24-15-13(20)12(19)11(18)10(6-17)23-15/h3-4,10-13,15-20H,5-6H2,1-2H3/t10-,11-,12+,13-,15+/m1/s1
SMILES COc1cc(CO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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OrganismApium graveolens
Referencehttps://doi.org/10.1016/S0031-9422(03)00461-8