input word = C00020029

Metabolite InformationStructural formula
Name (9S,10R)-9,10,5'-Triacetoxy-11-hydroxyumbelliprenin
Formula C30H38O10
Mw 558.24649744
CAS RN
C_ID C00020029 ,
InChIKey LMJUZHBREXNVBR-CQUFANKFNA-N
InChICode InChI=1S/C30H38O10/c1-18(9-8-10-19(2)15-27(38-21(4)32)29(30(6,7)35)39-22(5)33)13-14-36-23-16-25(37-20(3)31)24-11-12-28(34)40-26(24)17-23/h10-13,16-17,27,29,35H,8-9,14-15H2,1-7H3/b18-13+,19-10+/t27-,29+/m0/s1
SMILES c1c(cc2c(c1OC(=O)C)ccc(=O)o2)OC/C=C(/CC/C=C(/C[C@@H]([C@H](C(O)(C)C)OC(=O)C)OC(=O)C)\C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeHeptaptera anisoptera Ref.
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