input word = C00023927

Metabolite InformationStructural formula
Name Hebevinoside XIII
16-3-O-(3,4-Di-o-acetyl)-beta-D-Xylopyranoside-16-O-(4,6-di-O-acetyl)-beta-D-glucopyranoside
Formula C51H80O14
Mw 916.55480726
CAS RN 138995-52-5
C_ID C00023927 ,
InChIKey UXLRAUFZYMHXTO-MVIHELNZNA-N
InChICode InChI=1S/C49H76O16/c1-24(2)14-13-15-25(3)37-33(63-45-39(56)38(55)41(61-28(6)52)35(64-45)22-58-26(4)50)21-49(12)43-32(54)20-31-30(47(43,10)18-19-48(37,49)11)16-17-36(46(31,8)9)65-44-40(57)42(62-29(7)53)34(23-59-44)60-27(5)51/h14,20,25,30,32-45,54-57H,13,15-19,21-23H2,1-12H3/t25-,30-,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44-,45-,47-,48-,49+/m0/s1
SMILES CC(=O)OCC1O[C@H](O[C@H]2CC3(C)C4[C@@H](O)C=C5C(CC[C@H](O[C@H]6OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)C6O)C5(C)C)[C@]4(C)CCC3(C)C2C(C)CCC=C(C)C)[C@H](O)C(O)[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHymenogastraceaeHebeloma vinosphyllum Ref.
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