input word = C00054981

Metabolite InformationStructural formula
Name AS 1-3
Formula C40H75NO9
Mw 713.544183
CAS RN 115074-93-6
C_ID C00054981
InChIKey HOMYIYLRRDTKAA-XRJMOXAESA-N
InChICode InChI=1S/C40H75NO9/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/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40?/m0/s1
SMILES CCCCCCCCC/C=CCC/C=C/[C@@H](O)[C@@H](NC([C@H](O)CCCCCCCCCCCCCC)=O)COC1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAizoaceaeTetragonia tetragonoides Ref.
PlantaeAlliaceaeAllium sativum var. sativum Ref.
PlantaeFabaceaeGlycine max Ref.
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