input word = C00036660

Metabolite InformationStructural formula
Name 7-O-Methylaloeresin A
Formula C29H30O11
Mw 554.1788118
CAS RN 329361-25-3
C_ID C00036660 ,
InChIKey WRLXHKDQSQMWSH-CBRCYODMNA-N
InChICode InChI=1S/C29H30O11/c1-14-10-20(37-3)24(27-23(14)19(33)12-18(38-27)11-15(2)31)28-29(26(36)25(35)21(13-30)39-28)40-22(34)9-6-16-4-7-17(32)8-5-16/h4-10,12,21,25-26,28-30,32,35-36H,11,13H2,1-3H3/b9-6+/t21-,25-,26+,28+,29-/m1/s1
SMILES c1(cc(c2c(c1[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC(=O)/C=C/c1ccc(cc1)O)O)O)CO)oc(cc2=O)CC(=O)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe marlothii Ref.
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OrganismAloe marlothii
ReferenceBistrat,Phytochem.,55,(2000),949