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 |
Plantae | Aizoaceae | Tetragonia tetragonoides | Ref. |
Plantae | Alliaceae | Allium sativum var. sativum | Ref. |
Plantae | Fabaceae | Glycine max | Ref. |
|
|
zoom in
Organism | Allium sativum var. sativum | Reference | Mori, K. et al., Annalen, 1988, 807-814 (abs config, ir, pmr, cmr, synth, bibl, Soyacerebroside) |
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