input word = C00046858

Metabolite InformationStructural formula
Name Phyllofolactone J
(+)-Phyllofolactone J
Formula C32H50O5
Mw 514.36582471
CAS RN 306997-42-2
C_ID C00046858 ,
InChIKey UNLCDDLRZDCHNJ-DSZCPYCKNA-N
InChICode InChI=1S/C32H50O5/c1-8-20(33)17-26(34)37-25-18-24-30(5)15-10-14-29(4,9-2)22(30)13-16-31(24,6)23-12-11-21-19(3)36-28(35)27(21)32(23,25)7/h19-20,22-25,33H,8-18H2,1-7H3/t19-,20+,22+,23+,24-,25+,29+,30+,31+,32-/m1/s1
SMILES CCC(O)CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2CCC3=C(C(=O)OC3C)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Strepsichordaia aliena Ref.
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