input word = C00003447

Metabolite InformationStructural formula
Name Jodrellin A
Formula C22H30O6
Mw 390.20423869
CAS RN 124901-80-0
C_ID C00003447 ,
InChIKey XGLCMVKMPXZYOC-KKPAEPLLNA-N
InChICode InChI=1S/C22H30O6/c1-12-4-6-22-16(20(12,3)17-8-14-5-7-24-18(14)28-17)9-15(10-21(22)11-25-21)27-19(22)26-13(2)23/h5,7,12,14-19H,4,6,8-11H2,1-3H3/t12-,14-,15-,16-,17+,18-,19+,20+,21+,22-/m1/s1
SMILES [C@]1([C@@H]2[C@@]3(CC[C@H]1C)[C@]1(C[C@@H](C2)O[C@@H]3OC(=O)C)CO1)(C)[C@@H]1C[C@@H]2[C@@H](O1)OC=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria woronowii Ref.
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