input word = C00040796

Metabolite InformationStructural formula
Name 20,21alpha-Dihydroxy-22-oxo-21-desoxotingenone
Formula C28H36O5
Mw 452.25627426
CAS RN 220223-70-1
C_ID C00040796 ,
InChIKey ZBZBFNWRARSSGC-XXBAOHBTNA-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/h7-8,13,20,23,30,32-33H,9-12,14H2,1-6H3/t20-,23-,24+,25-,26-,27+,28+/m1/s1
SMILES C1[C@@H]2[C@](C(=O)[C@H]([C@@]1(C)O)O)(CC[C@]1([C@]2(CC[C@@]2(C1=CC=C1C2=CC(=O)C(=C1C)O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeGlyptopetalum sclerocarpum Ref.
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