input word = C00049793

Metabolite InformationStructural formula
Name Gerardiasterone
Formula C27H44O8
Mw 496.30361838
CAS RN 102712-89-0
C_ID C00049793 ,
InChIKey SLAXZVJCSMNNPH-HCSQTTFINA-N
InChICode InChI=1S/C27H44O8/c1-23(2,33)12-20(31)22(32)26(5,34)21-7-9-27(35)15-10-17(28)16-11-18(29)19(30)13-24(16,3)14(15)6-8-25(21,27)4/h10,14,16,18-22,29-35H,6-9,11-13H2,1-5H3/t14-,16-,18+,19-,20-,21-,22+,24+,25+,26-,27+/m0/s1
SMILES CC(C)(O)C[C@H](O)[C@@H](O)[C@@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSerratula tinctoria Ref.
zoom in