input word = C00055309

Metabolite InformationStructural formula
Name Digiferruginol omega-primeveroside
Formula C26H28O13
Mw 548.15299098
CAS RN 1191118-01-0
C_ID C00055309
InChIKey BMOUMJCDDOLCGR-XZCSSYBOSA-N
InChICode InChI=1S/C26H28O13/c27-14-8-37-25(23(34)20(14)31)38-9-15-21(32)22(33)24(35)26(39-15)36-7-10-5-6-13-16(17(10)28)19(30)12-4-2-1-3-11(12)18(13)29/h1-6,14-15,20-28,31-35H,7-9H2/t14-,15-,20+,21-,22+,23-,24-,25+,26-/m1/s1
SMILES O=C1C2=C(C=CC(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)=C2O)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
ReferenceStockigt, J. et al., Phytochemistry, 1973, 12, 2389-2391 (isol, synth)