input word = C00040799

Metabolite InformationStructural formula
Name 20-Hydroxy-22-oxotingenone
Formula C28H34O5
Mw 450.2406242
CAS RN 220223-71-2
C_ID C00040799 ,
InChIKey DPJLKZIEMXNYMP-FYUMKBDBNA-N
InChICode InChI=1S/C28H36O5/c1-15-16-7-8-19-24(2,17(16)13-18(29)21(15)30)9-11-27(5)20-14-28(6,33)23(32)22(31)25(20,3)10-12-26(19,27)4/h7-8,13,20,22,30-31,33H,9-12,14H2,1-6H3/t20-,22-,24+,25-,26-,27+,28+/m1/s1
SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(O)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeGlyptopetalum sclerocarpum Ref.
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