input word = C00054569

Metabolite InformationStructural formula
Name Aloinoside
Aloinoside B
Formula C27H32O13
Mw 564.18429111
CAS RN 11006-91-0
C_ID C00054569
InChIKey BUPDVJFRVYWYEV-SGAFVUFDSA-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 barbadensis Ref.
PlantaeAsphodelaceaeAloe berhana Ref.
PlantaeAsphodelaceaeAloe cf. perryi Ref.
PlantaeAsphodelaceaeAloe megalacantha Ref.
PlantaeAsphodelaceaeAloe pulcherrima Ref.
PlantaeAsphodelaceaeAloe rivae Ref.
PlantaeAsphodelaceaeAloe spp. Ref.
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OrganismAloe cf. perryi
ReferenceHay, J.E. et al., JCS, 1956, 3141-3147 (struct, bibl)