input word = C00054273

Metabolite InformationStructural formula
Name AS 1-5
Formula C40H77NO9
Mw 715.55983306
CAS RN 154967-87-0
C_ID C00054273
InChIKey FMRHRMJAYYLKAI-MDSCQSBSSA-N
InChICode InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,32-38,40,42-47H,3-25,27,29-31H2,1-2H3,(H,41,48)/b28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1
SMILES O[C@H]1[C@H](OC[C@H](NC([C@H](O)CCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CCCCCCCCCCCCC)O[C@H](CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium sativum Ref.
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