input word = C00036544

Metabolite InformationStructural formula
Name 3-Epikatonic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 76035-62-6
C_ID C00036544 ,
InChIKey JZFSMVXQUWRSIW-NAKZPNCENA-N
InChICode InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27+,28-,29+,30+/m0/s1
SMILES [C@@]1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O)C)C)C)(C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium doianum Ref.
PlantaeCelastraceaeTripterygium hypoglaucum Ref.
PlantaeCelastraceaeTripterygium wilfordii Hook f. Ref.
PlantaeFabaceaeCyamopsis tetragonoloba Ref.
PlantaeMeliaceaeSandoricum indicum Ref.
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