input word = C00053928

Metabolite InformationStructural formula
Name Damnacanthol 11-primeveroside
Formula C27H30O14
Mw 578.16355567
CAS RN 1191118-02-1
C_ID C00053928
InChIKey SEMIDROCAHWNKZ-FQWKPHNJSA-N
InChICode InChI=1S/C27H30O14/c1-37-25-13(14(28)6-12-17(25)19(31)11-5-3-2-4-10(11)18(12)30)7-38-27-24(36)22(34)21(33)16(41-27)9-40-26-23(35)20(32)15(29)8-39-26/h2-6,15-16,20-24,26-29,32-36H,7-9H2,1H3/t15-,16-,20+,21-,22+,23-,24-,26+,27-/m1/s1
SMILES O=C1C2=C(C=C(O)C(CO[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=C2OC)C(C5=CC=CC=C51)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda citrifolia Ref.
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OrganismMorinda citrifolia
ReferenceAgyangar, N.R. et al., J. Sci. Ind. Res., Sect. B, 1956, 15, 359 (synth)