input word = C00054568

Metabolite InformationStructural formula
Name Aloinoside A
Formula C27H32O13
Mw 564.18429111
CAS RN 56645-88-6
C_ID C00054568
InChIKey BUPDVJFRVYWYEV-PIVIZACJSA-N
InChICode InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16-,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1
SMILES C[C@@H]1O[C@@H](OCc2cc(O)c3c(c2)[C@@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cccc(O)c2C3=O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe ferox Ref.
PlantaeAsphodelaceaeAloe spp. Ref.
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