input word = C00059813

Metabolite InformationStructural formula
Name [S-(R*,R*)]-1,7-Bis[4-(acetyloxy)-3-methoxyphenyl]-3,5-heptanediol, diacetate
Formula C29H36O10
Mw 544.23084737
CAS RN 138922-33-5
C_ID C00059813
InChIKey IIBQBDQZTJZJGR-DQEYMECFSA-N
InChICode InChI=1S/C29H36O10/c1-18(30)36-24(11-7-22-9-13-26(38-20(3)32)28(15-22)34-5)17-25(37-19(2)31)12-8-23-10-14-27(39-21(4)33)29(16-23)35-6/h9-10,13-16,24-25H,7-8,11-12,17H2,1-6H3/t24-,25-/m0/s1
SMILES COc1cc(CCC(CC(CCc2ccc(OC(C)=O)c(OC)c2)OC(C)=O)OC(C)=O)ccc1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeZingiber officinale Ref.
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