input word = C00063793

Metabolite InformationStructural formula
Name 13-[(2-O-beta-D-glucopyranosyl-3-O-beta-D-fructofuranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid beta-D-glucopyranosyl ester
Formula C44H70O23
Mw 966.43078855
CAS RN 1326217-30-4
C_ID C00063793
InChIKey UEBRHGHHJQSGLE-WKAIBLEJSA-N
InChICode InChI=1S/C44H70O23/c1-18-11-42-9-5-23-40(2,7-4-8-41(23,3)39(59)64-37-32(57)30(55)26(51)20(13-46)61-37)24(42)6-10-43(18,16-42)67-38-34(63-36-31(56)29(54)25(50)19(12-45)60-36)33(27(52)21(14-47)62-38)66-44(17-49)35(58)28(53)22(15-48)65-44/h19-38,45-58H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35+,36+,37+,38+,40-,41-,42-,43+,44+/m1/s1
SMILES C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(OC2(CO)OC(CO)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia rebaudiana Ref.
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