input word = C00042218

Metabolite InformationStructural formula
Name Aloeresin E
(-)-Aloeresin E (Aloe peglerae)
Formula C34H38O16
Mw 702.21598517
CAS RN 182754-64-9
C_ID C00042218 ,
InChIKey QOGNEZKTQHDWEZ-WVGUNDSXNA-N
InChICode InChI=1S/C34H38O15/c1-15-10-20(47-34-30(44)28(42)26(40)22(14-36)48-34)25(31-24(15)19(38)12-18(45-31)11-16(2)37)32-33(29(43)27(41)21(13-35)46-32)49-23(39)9-8-17-6-4-3-5-7-17/h3-10,12,21-22,26-30,32-36,40-44H,11,13-14H2,1-2H3/b9-8+/t21-,22-,26+,27+,28+,29+,30-,32+,33-,34-/m1/s1
SMILES c12c(oc(cc1=O)CC(=O)C)c(c(cc2C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe arborescens Ref.
PlantaeAsphodelaceaeAloe barbadensis Ref.
PlantaeAsphodelaceaeAloe marlothii Ref.
PlantaeAsphodelaceaeAloe peglerae Ref.
PlantaeAsphodelaceaeAloe striata Ref.
PlantaeAsphodelaceaeAloe vera Ref.
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