input word = C00014110

Metabolite InformationStructural formula
Name Aloe resin C
Formula C34H38O16
Mw 702.21598517
CAS RN 98449-41-3
C_ID C00014110 ,
InChIKey DHSFJZHHJGPZGG-NAZXBEKGNA-N
InChICode InChI=1S/C34H38O16/c1-14-9-20(48-34-30(45)28(43)26(41)22(13-36)49-34)25(31-24(14)19(39)11-18(46-31)10-15(2)37)32-33(29(44)27(42)21(12-35)47-32)50-23(40)8-5-16-3-6-17(38)7-4-16/h3-9,11,21-22,26-30,32-36,38,41-45H,10,12-13H2,1-2H3/b8-5+/t21-,22-,26-,27-,28-,29-,30+,32-,33+,34+/m0/s1
SMILES CC(=O)Cc1cc(=O)c2c(C)cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3OC(=O)/C=C/c3ccc(O)cc3)c2o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe sp. Ref.
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