input word = C00057671

Metabolite InformationStructural formula
Name Nonioside E
Formula C24H42O17
Mw 602.24219992
CAS RN 942619-35-4
C_ID C00057671
InChIKey CPIWSFYBNFDJMU-NGSWZWPMSA-N
InChICode InChI=1S/C24H42O17/c1-2-3-4-5-12(27)40-24-21(41-23-20(35)17(32)14(29)10(7-26)38-23)18(33)15(30)11(39-24)8-36-22-19(34)16(31)13(28)9(6-25)37-22/h9-11,13-26,28-35H,2-8H2,1H3/t9-,10-,11-,13-,14-,15-,16+,17+,18+,19-,20-,21-,22-,23+,24+/m1/s1
SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(CCCCC)=O)O[C@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda citrifolia Ref.
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OrganismMorinda citrifolia
ReferenceTemeriusz, A. et al., Pol. J. Chem. (Rocz. Chem.), 1982, 56, 141 (alpha-Me gly synth)