input word = C00022347

Metabolite InformationStructural formula
Name Varodiol diacetate
Formula C24H38O5
Mw 406.27192432
CAS RN 88143-08-2
C_ID C00022347 ,
InChIKey IFSVDRCNVACXNB-HCCJMNGONA-N
InChICode InChI=1S/C24H38O5/c1-9-23(7)20(28-16(3)26)14-18-22(6)12-11-19(27-15(2)25)21(4,5)17(22)10-13-24(18,8)29-23/h9,17-20H,1,10-14H2,2-8H3/t17-,18-,19+,20+,22+,23-,24-/m0/s1
SMILES C=C[C@]1(C)O[C@@]2(C)CC[C@@H]3C(C)(C)[C@H](OC(C)=O)CC[C@@]3(C)[C@@H]2C[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis varoi Ref.
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