input word =
C00054569
Metabolite Information
Structural 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
Plantae
Asphodelaceae
Aloe barbadensis
Ref.
Plantae
Asphodelaceae
Aloe berhana
Ref.
Plantae
Asphodelaceae
Aloe cf. perryi
Ref.
Plantae
Asphodelaceae
Aloe megalacantha
Ref.
Plantae
Asphodelaceae
Aloe pulcherrima
Ref.
Plantae
Asphodelaceae
Aloe rivae
Ref.
Plantae
Asphodelaceae
Aloe spp.
Ref.
zoom in
