input word = C00063464

Metabolite InformationStructural formula
Name 2-Acetylacteoside
Formula C31H38O16
Mw 666.21598517
CAS RN 94492-24-7
C_ID C00063464
InChIKey ALERZNQPBWWLMW-OMRKUVHCSA-N
InChICode InChI=1S/C31H38O16/c1-14-24(39)25(40)26(41)30(43-14)47-28-27(46-23(38)8-5-16-3-6-18(34)20(36)11-16)22(13-32)45-31(29(28)44-15(2)33)42-10-9-17-4-7-19(35)21(37)12-17/h3-8,11-12,14,22,24-32,34-37,39-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28-,29+,30-,31+/m0/s1
SMILES CC(=O)OC1C(OCCc2ccc(O)c(O)c2)OC(CO)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1OC1OC(C)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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OrganismRehmannia glutinosa
Referencehttps://doi.org/10.1016/0031-9422(89)80134-7