input word = C00059906

Metabolite InformationStructural formula
Name D-myo-Inositol, 1-[(2R)-2-hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl hydrogen phosphate]
Formula C27H49O12P
Mw 596.29616352
CAS RN 1425501-10-5
C_ID C00059906
InChIKey SAHCQBPGXQFTRA-MUTGBQBKSA-N
InChICode InChI=1S/C27H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,20,22-28,30-34H,2-5,8,11-19H2,1H3,(H,35,36)/b7-6-,10-9-/t20-,22-,23-,24+,25-,26-,27-/m1/s1
SMILES CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
zoom in