input word = C00036914

Metabolite InformationStructural formula
Name Clandonensine
Formula C12H20O7
Mw 276.12090299
CAS RN 308106-59-4
C_ID C00036914 ,
InChIKey GWGHMCJQYGRQOT-ISJHPZOXNA-N
InChICode InChI=1S/C12H20O7/c1-6(13)19-11(2)4-7(14)12(16)5-8(15)18-10(17-3)9(11)12/h7-10,14-16H,4-5H2,1-3H3/t7-,8-,9-,10-,11+,12-/m1/s1
SMILES CO[C@@H]1O[C@@H](O)C[C@@]2(O)[C@H](O)C[C@](C)(OC(C)=O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeCaryopteris x clandonensis Ref.
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