input word = C00059907

Metabolite InformationStructural formula
Name D-myo-Inositol, 1-[(2R)-2-hydroxy-3-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl hydrogen phosphate]
Formula C27H47O12P
Mw 594.28051346
CAS RN 1425501-11-6
C_ID C00059907
InChIKey MLBWOYIGPAJIRN-KJXYALEVSA-N
InChICode InChI=1S/C27H47O12P/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/h3-4,6-7,9-10,20,22-28,30-34H,2,5,8,11-19H2,1H3,(H,35,36)/b4-3-,7-6-,10-9-/t20-,22-,23-,24+,25-,26-,27-/m1/s1
SMILES CCC=CCC=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.
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