input word = C00058227

Metabolite InformationStructural formula
Name Spinoside
Formula C30H26O12
Mw 578.1424263
CAS RN 850355-09-8
C_ID C00058227
InChIKey XLKUFVNWBUZNQG-ZZSHFKPLSA-N
InChICode InChI=1S/C30H26O12/c31-14-24-27(36)28(37)29(38)30(42-24)40-18-8-4-16(5-9-18)22-13-21(34)26-20(33)11-19(12-23(26)41-22)39-25(35)10-3-15-1-6-17(32)7-2-15/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)Oc1cc(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAmaranthus spinosus Ref.
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OrganismAmaranthus spinosus
ReferenceAldrich Library of 13C and 1H FT NMR Spectra,1992, 2, 919B (nmr)