input word = C00023368

Metabolite InformationStructural formula
Name 2,3-Dicarboxy-2,3-secomanoyl oxide
Formula C20H32O5
Mw 352.22497413
CAS RN 933470-45-2
C_ID C00023368 ,
InChIKey SNSXKAUSYCGEJL-PSWVEOCXNA-N
InChICode InChI=1S/C20H32O5/c1-7-18(4)10-8-14-19(5,12-15(21)22)13(17(2,3)16(23)24)9-11-20(14,6)25-18/h7,13-14H,1,8-12H2,2-6H3,(H,21,22)(H,23,24)/t13-,14-,18-,19-,20+/m0/s1
SMILES C=C[C@@]1(C)CCC2[C@@](C)(CC[C@@H](C(C)(C)C(=O)O)[C@]2(C)CC(=O)O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePodocarpaceaeDacrydium colensoi Ref.
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