input word = C00046057

Metabolite InformationStructural formula
Name Katonic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 6894-46-8
C_ID C00046057 ,
InChIKey JZFSMVXQUWRSIW-VEARWDHPNA-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 CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSandoricum indicum Ref.
PlantaeMeliaceaeSandoricum koetjape Ref.
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OrganismSandoricum koetjape
ReferenceKing,F.E.et al.,JCS,(1960),4738