input word = C00042150

Metabolite InformationStructural formula
Name 5alpha,6beta,8alpha,12alpha-Tetrahydroxy-28-norisotoonafolin
(+)-5alpha,6beta,8alpha,12alpha-Tetrahydroxy-28-norisotoonafolin
Formula C25H30O10
Mw 490.18389718
CAS RN 219830-26-9
C_ID C00042150 ,
InChIKey OMQBBQBLEKPHLY-HEHZVHNGNA-N
InChICode InChI=1S/C25H30O10/c1-20-11(10-5-6-32-9-10)7-14-25(20,34-14)22(3,30)16-15(17(20)27)33-13-8-12(26)23(4)24(31,21(13,16)2)18(28)19(29)35-23/h5-6,9,11,13-18,27-28,30-31H,7-8H2,1-4H3/t11-,13-,14+,15-,16+,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1
SMILES [C@H]12[C@@H]([C@@]([C@]34[C@@]([C@H]1O)([C@@H](C[C@H]3O4)c1cocc1)C)(C)O)[C@]1([C@@H](O2)CC(=O)[C@]2([C@@]1([C@H](C(=O)O2)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
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