input word = C00056739

Metabolite InformationStructural formula
Name 1-Hydroxy-3-friedelanone
Formula C30H50O2
Mw 442.38108084
CAS RN 1255647-99-4
C_ID C00056739
InChIKey BFXGCIAJMLLIBE-NYCLATEYSA-N
InChICode InChI=1S/C30H50O2/c1-19-20(31)17-21(32)24-27(19,5)10-9-22-28(24,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(22,30)7/h19,21-24,32H,9-18H2,1-8H3/t19-,21+,22-,23+,24+,26+,27+,28+,29+,30-/m0/s1
SMILES [H][C@@]12[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@]4([C@@]3(CC[C@@]1(C)[C@]5([C@](C)(CC2)[C@@H](C)C(C[C@H]5O)=O)[H])C)[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaePolyporus umbellatus Ref.
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