input word = C00053790

Metabolite InformationStructural formula
Name Sorgomol
Formula C19H22O6
Mw 346.14163844
CAS RN 1011730-11-2
C_ID C00053790
InChIKey KYSWLLSZOWOOGF-LWNJLIBHSA-N
InChICode InChI=1S/C19H22O6/c1-10-6-14(24-17(10)21)23-8-13-12-7-11-4-3-5-19(2,9-20)15(11)16(12)25-18(13)22/h6,8,12,14,16,20H,3-5,7,9H2,1-2H3/b13-8-/t12-,14-,16+,19+/m1/s1
SMILES CC(C(O1)=O)=C[C@@H]1O/C=C([C@](C2)([H])[C@@](O3)([H])C4=C2CCC[C@]4(CO)C)C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaePoaceaeSorghum bicolor Ref.
PlantaeSaururaceaeHouttuynia cordata Ref.
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