input word = C00064559

Metabolite InformationStructural formula
Name arbutoside
Formula C28H42O20
Mw 698.22694379
CAS RN 82537-87-9
C_ID C00064559
InChIKey JAXVVBNSFVWUEV-RIWFLDLBSA-N
InChICode InChI=1S/C28H42O20/c1-8-14(31)17(34)19(36)26(44-8)47-22-16(33)12(5-30)45-25(21(22)38)43-7-28(41)3-2-9-10(23(39)40)6-42-24(13(9)28)48-27-20(37)18(35)15(32)11(4-29)46-27/h2-3,6,8-9,11-22,24-27,29-38,41H,4-5,7H2,1H3,(H,39,40)/t8-,9+,11+,12+,13+,14-,15+,16+,17+,18-,19+,20+,21+,22-,24-,25+,26-,27-,28-/m0/s1
SMILES CC1OC(OC2C(O)C(CO)OC(OCC3(O)C=CC4C(C(=O)O)=COC(OC5OC(CO)C(O)C(O)C5O)C43)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOriganum dubium Ref.
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