input word = C00022468

Metabolite InformationStructural formula
Name 6-Oxocativic acid
Formula C20H32O3
Mw 320.23514489
CAS RN 82779-24-6
C_ID C00022468 ,
InChIKey JJGYRVZPUJUFTR-LGRVZMHYNA-N
InChICode InChI=1S/C20H32O3/c1-13(11-17(22)23)7-8-15-14(2)12-16(21)18-19(3,4)9-6-10-20(15,18)5/h12-13,15,18H,6-11H2,1-5H3,(H,22,23)/t13-,15-,18-,20+/m0/s1
SMILES CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus labdaniferus Ref.
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