input word = C00037318

Metabolite InformationStructural formula
Name Isoargentatin B
Formula C30H48O3
Mw 456.3603454
CAS RN 104121-37-1
C_ID C00037318 ,
InChIKey OBYHAHUVZAETKQ-YRZHRAKENA-N
InChICode InChI=1S/C30H48O3/c1-18-9-12-24(27(4,5)32)33-21-17-30(8)20-10-11-22-26(2,3)23(31)14-15-28(22,6)19(20)13-16-29(30,7)25(18)21/h18,21-22,24-25,32H,9-17H2,1-8H3/t18-,21+,22+,24-,25+,28-,29-,30+/m1/s1
SMILES C[C@@H]1CC[C@H](C(C)(C)O)O[C@H]2C[C@@]3(C)C4=C(CC[C@]3(C)[C@@H]12)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium argentatum Gray Ref.
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